Vitas-M small molecule compound
ethyl 2-{[(2E)-2-cyano-3-(3-propoxyphenyl)prop-2-enoyl]amino}-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
Catalog ID
STK492670
SMILES CCCOc1cccc(c1)/C=C(/C(=O)Nc1sc(c(c1C(=O)OCC)C)C(=O)N(C)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 C24H27N3O5S MW 469.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27N3O5S/c1-6-11-32-18-10-8-9-16(13-18)12-17(14-25)21(28)26-22-19(24(30)31-7-2)15(3)20(33-22)23(29)27(4)5/h8-10,12-13H,6-7,11H2,1-5H3,(H,26,28)/b17-12+InChIKey
NPWPYIZKCAHOCI-SFQUDFHCSA-NSynonyms
CCCOC1=CC=CC(=C1)C=C(C#N)C(=O)NC2=C(C(=C(S2)C(=O)N(C)C)C)C(=O)OCC
CCCOc1cccc(c1)C=C(C(=O)Nc1sc(c(c1C(=O)OCC)C)C(=O)N(C)C)C#N
ethyl2(((2E)2cyano3(3propoxyphenyl)prop2enoyl)amino)5(dimethylcarbamoyl)4methylthiophene3carboxylate
ethyl2(((E)2cyano3(3propoxyphenyl)prop2enoyl)amino)5(dimethylcarbamoyl)4methylthiophene3carboxylate
ETHYL2((2E)2CYANO3(3PROPOXYPHENYL)PROP2ENOYLAMINO)5(NNDIMETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC24H27N3O5Sc16113218108916(1318)1217(1425)21(28)262219(24(30)3172)15(3)20(3322)23(29)27(4)5h8101213H6711H215H3(H2628)b1712+
MFCD05643422
ZINC000020573169
ZINC20573169
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