Vitas-M small molecule compound
ethyl 2-{[(2Z)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL023020
SMILES CCOC(=O)c1c(NC(=O)/C(=C\c2ccc(c(c2)OC)O)/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 C23H24N2O5S MW 440.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N2O5S/c1-4-30-23(28)20-16-7-5-13(2)9-19(16)31-22(20)25-21(27)15(12-24)10-14-6-8-17(26)18(11-14)29-3/h6,8,10-11,13,26H,4-5,7,9H2,1-3H3,(H,25,27)/b15-10-InChIKey
ODCAXWGDNMMNMB-GDNBJRDFSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(=CC3=CC(=C(C=C3)O)OC)C#N
CCOC(=O)c1c(NC(=O)C(=Cc2ccc(c(c2)OC)O)C#N)sc2c1CCC(C2)C
ethyl2(((2Z)2cyano3(4hydroxy3methoxyphenyl)prop2enoyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ethyl2(((Z)2cyano3(4hydroxy3methoxyphenyl)prop2enoyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC23H24N2O5Sc143023(28)20167513(2)919(16)3122(20)2521(27)15(1224)10146817(26)18(1114)293h6810111326H4579H213H3(H2527)b1510
MFCD05633105
ZINC000011689772
ZINC000011689773
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