Vitas-M small molecule compound
ethyl 2-({(2E)-2-cyano-3-[3-methoxy-4-(pentyloxy)phenyl]prop-2-enoyl}amino)-4,5-dimethylthiophene-3-carboxylate
Catalog ID
STK949534
SMILES CCCCCOc1ccc(cc1OC)/C=C(/C(=O)Nc1sc(c(c1C(=O)OCC)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 C25H30N2O5S MW 470.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2O5S/c1-6-8-9-12-32-20-11-10-18(14-21(20)30-5)13-19(15-26)23(28)27-24-22(25(29)31-7-2)16(3)17(4)33-24/h10-11,13-14H,6-9,12H2,1-5H3,(H,27,28)/b19-13+InChIKey
HHYNNIXZJFFSID-CPNJWEJPSA-NSynonyms
CCCCCOC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=C(C(=C(S2)C)C)C(=O)OCC)OC
CCCCCOc1ccc(cc1OC)C=C(C(=O)Nc1sc(c(c1C(=O)OCC)C)C)C#N
ethyl2(((2E)2cyano3(3methoxy4(pentyloxy)phenyl)prop2enoyl)amino)45dimethylthiophene3carboxylate
ETHYL2(((E)2CYANO3(3METHOXY4PENTOXYPHENYL)PROP2ENOYL)AMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
ETHYL2((2E)2CYANO3(3METHOXY4PENTYLOXYPHENYL)PROP2ENOYLAMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
InChI=1SC25H30N2O5Sc1689123220111018(1421(20)305)1319(1526)23(28)272422(25(29)3172)16(3)17(4)3324h10111314H6912H215H3(H2728)b1913+
MFCD02957145
ZINC000012124838
ZINC12124838
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