Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-yl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide
Catalog ID
STK375352
SMILES CCC1CCc2c(C1)sc(c2C#N)NC(=O)/C=C/c1ccc2c(c1)OCO2
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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 C21H20N2O3S MW 380.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O3S/c1-2-13-3-6-15-16(11-22)21(27-19(15)10-13)23-20(24)8-5-14-4-7-17-18(9-14)26-12-25-17/h4-5,7-9,13H,2-3,6,10,12H2,1H3,(H,23,24)/b8-5+InChIKey
ZRHQPFOBLVKMHP-VMPITWQZSA-NSynonyms
(2E)3(13benzodioxol5yl)N(3cyano6ethyl4567tetrahydro1benzothiophen2yl)prop2enamide
(E)3(13benzodioxol5yl)N(3cyano6ethyl4567tetrahydro1benzothiophen2yl)prop2enamide
CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C=CC3=CC4=C(C=C3)OCO4
CCC1CCc2c(C1)sc(c2C#N)NC(=O)C=Cc1ccc2c(c1)OCO2
InChI=1SC21H20N2O3Sc1213361516(1122)21(2719(15)1013)2320(24)8514471718(914)26122517h457913H2361012H21H3(H2324)b85+
MFCD01337521
ZINC000000650197
ZINC000000650200
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