Vitas-M small molecule compound
(2E)-2-cyano-3-[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-N-(3-methoxyphenyl)prop-2-enamide
Catalog ID
STK179107
SMILES COc1cccc(c1)NC(=O)/C(=C/c1cc(n(c1C)c1sc2c(c1C#N)CCCC2)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 C26H24N4O2S MW 456.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N4O2S/c1-16-11-18(12-19(14-27)25(31)29-20-7-6-8-21(13-20)32-3)17(2)30(16)26-23(15-28)22-9-4-5-10-24(22)33-26/h6-8,11-13H,4-5,9-10H2,1-3H3,(H,29,31)/b19-12+InChIKey
ZUOHQBRXBVCZDW-XDHOZWIPSA-NSynonyms
(2E)2cyano3(1(3cyano4567tetrahydro1benzothiophen2yl)25dimethyl1Hpyrrol3yl)N(3methoxyphenyl)prop2enamide
(E)2cyano3(1(3cyano4567tetrahydro1benzothiophen2yl)25dimethylpyrrol3yl)N(3methoxyphenyl)prop2enamide
CC1=CC(=C(N1C2=C(C3=C(S2)CCCC3)C#N)C)C=C(C#N)C(=O)NC4=CC(=CC=C4)OC
COc1cccc(c1)NC(=O)C(=Cc1cc(n(c1C)c1sc2c(c1C#N)CCCC2)C)C#N
InChI=1SC26H24N4O2Sc1161118(1219(1427)25(31)292076821(1320)323)17(2)30(16)2623(1528)229451024(22)3326h681113H45910H213H3(H2931)b1912+
MFCD03923203
ZINC000001176516
ZINC01176516
ZINC1176516
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