Vitas-M small molecule compound
(2Z)-2-(1H-benzimidazol-2-yl)-3-{4-[(2-hydroxyethyl)sulfanyl]-3-nitrophenyl}prop-2-enenitrile
Catalog ID
STK287009
SMILES OCCSc1ccc(cc1[N+](=O)[O-])/C=C(\c1nc2c([nH]1)cccc2)/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 C18H14N4O3S MW 366.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14N4O3S/c19-11-13(18-20-14-3-1-2-4-15(14)21-18)9-12-5-6-17(26-8-7-23)16(10-12)22(24)25/h1-6,9-10,23H,7-8H2,(H,20,21)/b13-9-InChIKey
NQYXDMXBYIPQOD-LCYFTJDESA-NSynonyms
(2Z)2(1Hbenzimidazol2yl)3(4((2hydroxyethyl)sulfanyl)3nitrophenyl)prop2enenitrile
(Z)2(1HBENZIMIDAZOL2YL)3(4(2HYDROXYETHYLSULFANYL)3NITROPHENYL)PROP2ENENITRILE
C1=CC=C2C(=C1)NC(=N2)C(=CC3=CC(=C(C=C3)SCCO)(N+)(=O)(O))C#N
InChI=1SC18H14N4O3Sc191113(182014312415(14)2118)9125617(268723)16(1012)22(24)25h1691023H78H2(H2021)b139
MFCD04218965
OCCSc1ccc(cc1(N+)(=O)(O))C=C(c1nc2c((nH)1)cccc2)C#N
ZINC000004997673
ZINC04997673
ZINC4997673
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