Direct Violet 1

CAT: 0931-T20033-02Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No

1 / 1

CAT#:0931-T20033-02Size:1 mL - 10 mM (in DMSO)

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2586-60-9

Target

SARS-CoV

Related Pathways

Microbiology/Virology

Purity

≥98%

Bioactivity

Direct Violet 1 (CCRIS 2413) is an agent of dye.

Smiles

O=S(C1=CC(O)=C2C(N=NC3=CC=C(C4=CC=C(N=NC5=C(N)C=CC6=CC(S(=O)([O-])=O)=CC(O)=C56)C=C4)C=C3)=C(N)C=CC2=C1)([O-])=O.[Na+].[Na+]

Molecular Formula

C32H22N6Na2O8S2

Molecular Weight

728.66

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

C.I. Direct Violet 1

CAS Number	2586-60-9
PubChem CID	135462983
IUPAC Name	disodium;6-amino-5-[[4-[4-[(2-amino-8-hydroxy-6-sulfonatonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate
Molecular Formula	C32H22N6Na2O8S2
Molecular Weight	728.7
Topological Polar Surface Area	273
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	5
Heavy Atom Count	50
Formal Charge	0
Complexity	1240

SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=C(C=CC4=CC(=CC(=C43)O)S(=O)(=O)[O-])N)N=NC5=C(C=CC6=CC(=CC(=C65)O)S(=O)(=O)[O-])N.[Na+].[Na+]

InChI

InChI=1S/C32H24N6O8S2.2Na/c33-25-11-5-19-13-23(47(41,42)43)15-27(39)29(19)31(25)37-35-21-7-1-17(2-8-21)18-3-9-22(10-4-18)36-38-32-26(34)12-6-20-14-24(48(44,45)46)16-28(40)30(20)32;;/h1-16,39-40H,33-34H2,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2

InChIKey

VDRKHPFIMDTBNX-UHFFFAOYSA-L

Chemical Structure

2D Structure

CAS: 2586-60-9

CID: 135462983

Formula: C32H22N6Na2O8S2

MW: 728.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	728.7
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	5
Exact Mass	728.07359259
Monoisotopic Mass	728.07359259
Topological Polar Surface Area	273 Å²
Heavy Atom Count	50
Formal Charge	0
Complexity	1240
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

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