Vitas-M small molecule compound
dimethyl 2-{[(2Z)-2-cyano-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
Catalog ID
STL333054
SMILES CCOc1ccc(cc1OC)/C=C(\C(=O)Nc1sc2c(c1C(=O)OC)C(CC2)C(=O)OC)/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 C24H24N2O7S MW 484.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N2O7S/c1-5-33-16-8-6-13(11-17(16)30-2)10-14(12-25)21(27)26-22-20(24(29)32-4)19-15(23(28)31-3)7-9-18(19)34-22/h6,8,10-11,15H,5,7,9H2,1-4H3,(H,26,27)/b14-10-InChIKey
NPACDYJVJINSSN-UVTDQMKNSA-NSynonyms
385388-47-6(Z)dimethyl2(2cyano3(4ethoxy3methoxyphenyl)acrylamido)56dihydro4Hcyclopenta(b)thiophene34dicarboxylate
385388476
CCOC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=C(C3=C(S2)CCC3C(=O)OC)C(=O)OC)OC
CCOc1ccc(cc1OC)C=C(C(=O)Nc1sc2c(c1C(=O)OC)C(CC2)C(=O)OC)C#N
dimethyl2(((2Z)2cyano3(4ethoxy3methoxyphenyl)prop2enoyl)amino)56dihydro4Hcyclopenta(b)thiophene34dicarboxylate
dimethyl2(((Z)2cyano3(4ethoxy3methoxyphenyl)prop2enoyl)amino)56dihydro4Hcyclopenta(b)thiophene34dicarboxylate
InChI=1SC24H24N2O7Sc1533168613(1117(16)302)1014(1225)21(27)262220(24(29)324)1915(23(28)313)7918(19)3422h68101115H579H214H3(H2627)b1410
MFCD03285568
ZINC000013552436
ZINC000013552438
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