Vitas-M small molecule compound
ethyl 2-{[(2Z)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL023017
SMILES CCOC(=O)c1c(NC(=O)/C(=C\c2ccc(c(c2)OC)OC)/C#N)sc2c1CCC(C2)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 C24H26N2O5S MW 454.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N2O5S/c1-5-31-24(28)21-17-8-6-14(2)10-20(17)32-23(21)26-22(27)16(13-25)11-15-7-9-18(29-3)19(12-15)30-4/h7,9,11-12,14H,5-6,8,10H2,1-4H3,(H,26,27)/b16-11-InChIKey
ZCLNRSLAYBJQDW-WJDWOHSUSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(=CC3=CC(=C(C=C3)OC)OC)C#N
CCOC(=O)c1c(NC(=O)C(=Cc2ccc(c(c2)OC)OC)C#N)sc2c1CCC(C2)C
ethyl2(((2Z)2cyano3(34dimethoxyphenyl)prop2enoyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ethyl2(((Z)2cyano3(34dimethoxyphenyl)prop2enoyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC24H26N2O5Sc153124(28)21178614(2)1020(17)3223(21)2622(27)16(1325)11157918(293)19(1215)304h79111214H56810H214H3(H2627)b1611
MFCD05633113
ZINC000011689768
ZINC000011689769
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