Vitas-M small molecule compound
(2E)-3-(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Catalog ID
STK760973
SMILES N#C/C(=C\c1cc(OC)c2c(c1)sc(=O)o2)/c1nc2c([nH]1)ccc(c2)C
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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 C19H13N3O3S MW 363.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13N3O3S/c1-10-3-4-13-14(5-10)22-18(21-13)12(9-20)6-11-7-15(24-2)17-16(8-11)26-19(23)25-17/h3-8H,1-2H3,(H,21,22)/b12-6+InChIKey
OVVWQSXWEQULGS-WUXMJOGZSA-NSynonyms
(2E)3(7METHOXY2OXO13BENZOXATHIOL5YL)2(5METHYL1HBENZIMIDAZOL2YL)PROP2ENENITRILE
(E)3(7METHOXY2OXO13BENZOXATHIOL5YL)2(6METHYL1HBENZIMIDAZOL2YL)PROP2ENENITRILE
CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC(=C4C(=C3)SC(=O)O4)OC)C#N
InChI=1SC19H13N3O3Sc110341314(510)2218(2113)12(920)611715(242)1716(811)2619(23)2517h38H12H3(H2122)b126+
MFCD01820236
N#CC(=Cc1cc(OC)c2c(c1)sc(=O)o2)c1nc2c((nH)1)ccc(c2)C
ZINC000004494408
ZINC04494408
ZINC4494408
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