Vitas-M small molecule compound
butyl 2-{[(2E)-2-cyano-3-(furan-2-yl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK739756
SMILES CCCCOC(=O)c1c(NC(=O)/C(=C/c2ccco2)/C#N)sc2c1CCCC2
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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 C21H22N2O4S MW 398.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O4S/c1-2-3-10-27-21(25)18-16-8-4-5-9-17(16)28-20(18)23-19(24)14(13-22)12-15-7-6-11-26-15/h6-7,11-12H,2-5,8-10H2,1H3,(H,23,24)/b14-12+InChIKey
WCNXPGSJPDDQTQ-WYMLVPIESA-NSynonyms
327063-00-3(E)butyl2(2cyano3(furan2yl)acrylamido)4567tetrahydrobenzo(b)thiophene3carboxylate
327063003
butyl2(((2E)2cyano3(furan2yl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
butyl2(((E)2cyano3(furan2yl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
CCCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=CC=CO3)C#N
CCCCOC(=O)c1c(NC(=O)C(=Cc2ccco2)C#N)sc2c1CCCC2
InChI=1SC21H22N2O4Sc123102721(25)1816845917(16)2820(18)2319(24)14(1322)121576112615h671112H25810H21H3(H2324)b1412+
MFCD02328016
ZINC000002336077
ZINC02336077
ZINC2336077
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