Products for Research Use Only
RegisterLogin

Vimnerixin

CAT: 0127-BUP23148Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-BUP23148Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1418112-77-2
Synonyms
AZD4721, RIST4721, AZD 4721, RIST 4721
Purity
≥95%
Smiles
N (S (=O) (=O) N1CC (C) C1) C=2C=C (O[C@@H] ([C@H] (CO) O) C) N=C (SCC3=CC=C (F) C=C3) N2

Chemical Information

Vimnerixin
CAS Number1418112-77-2
PubChem CID71209600
IUPAC NameN-[6-[(2R,3S)-3,4-dihydroxybutan-2-yl]oxy-2-[(4-fluorophenyl)methylsulfanyl]pyrimidin-4-yl]-3-methylazetidine-1-sulfonamide
Molecular FormulaC19H25FN4O5S2
Molecular Weight472.6
XLogP1.9
Topological Polar Surface Area159
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Heavy Atom Count31
Formal Charge0
Complexity656
SMILES
CC1CN(C1)S(=O)(=O)NC2=CC(=NC(=N2)SCC3=CC=C(C=C3)F)O[C@H](C)[C@H](CO)O
InChI
InChI=1S/C19H25FN4O5S2/c1-12-8-24(9-12)31(27,28)23-17-7-18(29-13(2)16(26)10-25)22-19(21-17)30-11-14-3-5-15(20)6-4-14/h3-7,12-13,16,25-26H,8-11H2,1-2H3,(H,21,22,23)/t13-,16+/m1/s1
InChIKey
UCCNQCNIPRKLRP-CJNGLKHVSA-N
Chemical Structure
2D Structure
2D structure of Vimnerixin
CAS: 1418112-77-2
CID: 71209600
Formula: C19H25FN4O5S2
MW: 472.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight472.6
XLogP31.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Exact Mass472.12504042
Monoisotopic Mass472.12504042
Topological Polar Surface Area159 Ų
Heavy Atom Count31
Formal Charge0
Complexity656
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19189662Vimnerixin

Popular Products