Vitas-M small molecule compound
ethyl 2-{[(2E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino}-4,5-dimethylthiophene-3-carboxylate
Catalog ID
STK949537
SMILES CCOC(=O)c1c(NC(=O)/C(=C/c2ccc(c(c2)OC)O)/C#N)sc(c1C)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 C20H20N2O5S MW 400.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O5S/c1-5-27-20(25)17-11(2)12(3)28-19(17)22-18(24)14(10-21)8-13-6-7-15(23)16(9-13)26-4/h6-9,23H,5H2,1-4H3,(H,22,24)/b14-8+InChIKey
FTQNRIQHBAUTNZ-RIYZIHGNSA-NSynonyms
CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C(=CC2=CC(=C(C=C2)O)OC)C#N
CCOC(=O)c1c(NC(=O)C(=Cc2ccc(c(c2)OC)O)C#N)sc(c1C)C
ethyl2(((2E)2cyano3(4hydroxy3methoxyphenyl)prop2enoyl)amino)45dimethylthiophene3carboxylate
ETHYL2(((E)2CYANO3(4HYDROXY3METHOXYPHENYL)PROP2ENOYL)AMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
ETHYL2((2E)2CYANO3(4HYDROXY3METHOXYPHENYL)PROP2ENOYLAMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
InChI=1SC20H20N2O5Sc152720(25)1711(2)12(3)2819(17)2218(24)14(1021)8136715(23)16(913)264h6923H5H214H3(H2224)b148+
MFCD02957165
ZINC000001453437
ZINC01453437
ZINC1453437
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