Vitas-M small molecule compound
(2E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-{4-[(2-hydroxyethyl)sulfanyl]-3-nitrophenyl}prop-2-enenitrile
Catalog ID
STK287208
SMILES OCCSc1ccc(cc1[N+](=O)[O-])/C=C(/c1[nH]c2c(n1)cc(c(c2)C)C)\C#N
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C20H18N4O3S MW 394.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O3S/c1-12-7-16-17(8-13(12)2)23-20(22-16)15(11-21)9-14-3-4-19(28-6-5-25)18(10-14)24(26)27/h3-4,7-10,25H,5-6H2,1-2H3,(H,22,23)/b15-9+InChIKey
XUWPGXBBJBGPEH-OQLLNIDSSA-NSynonyms
(2E)2(56dimethyl1Hbenzimidazol2yl)3(4((2hydroxyethyl)sulfanyl)3nitrophenyl)prop2enenitrile
(E)2(56DIMETHYL1HBENZIMIDAZOL2YL)3(4(2HYDROXYETHYLSULFANYL)3NITROPHENYL)PROP2ENENITRILE
CC1=CC2=C(C=C1C)N=C(N2)C(=CC3=CC(=C(C=C3)SCCO)(N+)(=O)(O))C#N
InChI=1SC20H18N4O3Sc11271617(813(12)2)2320(2216)15(1121)9143419(286525)18(1014)24(26)27h3471025H56H212H3(H2223)b159+
MFCD07437668
OCCSc1ccc(cc1(N+)(=O)(O))C=C(c1(nH)c2c(n1)cc(c(c2)C)C)C#N
ZINC000009235973
ZINC09235973
ZINC9235973
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