Vitas-M small molecule compound
methyl 2-{[(2E)-2-cyano-3-(4-propoxyphenyl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK952432
SMILES CCCOc1ccc(cc1)/C=C(/C(=O)Nc1sc2c(c1C(=O)OC)CCCC2)\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 C23H24N2O4S MW 424.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N2O4S/c1-3-12-29-17-10-8-15(9-11-17)13-16(14-24)21(26)25-22-20(23(27)28-2)18-6-4-5-7-19(18)30-22/h8-11,13H,3-7,12H2,1-2H3,(H,25,26)/b16-13+InChIKey
XHTSFQCOZROTKC-DTQAZKPQSA-NSynonyms
CCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC
CCCOc1ccc(cc1)C=C(C(=O)Nc1sc2c(c1C(=O)OC)CCCC2)C#N
InChI=1SC23H24N2O4Sc1312291710815(91117)1316(1424)21(26)252220(23(27)282)18645719(18)3022h81113H3712H212H3(H2526)b1613+
methyl2(((2E)2cyano3(4propoxyphenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2(((E)2cyano3(4propoxyphenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD02328487
ZINC000001927106
ZINC01927106
ZINC1927106
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