Vitas-M small molecule compound
ethyl 4-cyano-3-methyl-5-({(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}amino)thiophene-2-carboxylate
Catalog ID
STK412822
SMILES CCOC(=O)c1sc(c(c1C)C#N)NC(=O)/C=C/c1ccc(cc1)C(C)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 C21H22N2O3S MW 382.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O3S/c1-5-26-21(25)19-14(4)17(12-22)20(27-19)23-18(24)11-8-15-6-9-16(10-7-15)13(2)3/h6-11,13H,5H2,1-4H3,(H,23,24)/b11-8+InChIKey
RSUBLZRANJCXNW-DHZHZOJOSA-NSynonyms
CCOC(=O)C1=C(C(=C(S1)NC(=O)C=CC2=CC=C(C=C2)C(C)C)C#N)C
CCOC(=O)c1sc(c(c1C)C#N)NC(=O)C=Cc1ccc(cc1)C(C)C
ethyl4cyano3methyl5(((2E)3(4(propan2yl)phenyl)prop2enoyl)amino)thiophene2carboxylate
ETHYL4CYANO3METHYL5(((E)3(4PROPAN2YLPHENYL)PROP2ENOYL)AMINO)THIOPHENE2CARBOXYLATE
ETHYL4CYANO5((3(4ISOPROPYLPHENYL)ACRYLOYL)AMINO)3METHYL2THIOPHENECARBOXYLATE
ETHYL5((2E)3(4(METHYLETHYL)PHENYL)PROP2ENOYLAMINO)4CYANO3METHYLTHIOPHENE2CARBOXYLATE
InChI=1SC21H22N2O3Sc152621(25)1914(4)17(1222)20(2719)2318(24)118156916(10715)13(2)3h61113H5H214H3(H2324)b118+
MFCD01354271
ZINC000000689299
ZINC00689299
ZINC689299
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