Vitas-M small molecule compound
methyl 2-({(2E)-2-cyano-3-[3-methoxy-4-(pentyloxy)phenyl]prop-2-enoyl}amino)-4,5-dimethylthiophene-3-carboxylate
Catalog ID
STK949541
SMILES CCCCCOc1ccc(cc1OC)/C=C(/C(=O)Nc1sc(c(c1C(=O)OC)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 C24H28N2O5S MW 456.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N2O5S/c1-6-7-8-11-31-19-10-9-17(13-20(19)29-4)12-18(14-25)22(27)26-23-21(24(28)30-5)15(2)16(3)32-23/h9-10,12-13H,6-8,11H2,1-5H3,(H,26,27)/b18-12+InChIKey
JGLQCXHVYIJGON-LDADJPATSA-NSynonyms
CCCCCOC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=C(C(=C(S2)C)C)C(=O)OC)OC
CCCCCOc1ccc(cc1OC)C=C(C(=O)Nc1sc(c(c1C(=O)OC)C)C)C#N
InChI=1SC24H28N2O5Sc167811311910917(1320(19)294)1218(1425)22(27)262321(24(28)305)15(2)16(3)3223h9101213H6811H215H3(H2627)b1812+
methyl2(((2E)2cyano3(3methoxy4(pentyloxy)phenyl)prop2enoyl)amino)45dimethylthiophene3carboxylate
METHYL2(((E)2CYANO3(3METHOXY4PENTOXYPHENYL)PROP2ENOYL)AMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
METHYL2((2E)2CYANO3(3METHOXY4PENTYLOXYPHENYL)PROP2ENOYLAMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
MFCD02957144
ZINC000002669847
ZINC02669847
ZINC2669847
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