Vitas-M small molecule compound
ethyl 2-{[(2E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK445015
SMILES CCOC(=O)c1c(NC(=O)/C=C/c2ccc(c(c2)Cl)Cl)sc2c1CCC(C2)CC
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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 C22H23Cl2NO3S MW 452.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23Cl2NO3S/c1-3-13-5-8-15-18(12-13)29-21(20(15)22(27)28-4-2)25-19(26)10-7-14-6-9-16(23)17(24)11-14/h6-7,9-11,13H,3-5,8,12H2,1-2H3,(H,25,26)/b10-7+InChIKey
OXFPBGIUEKIGGE-JXMROGBWSA-NSynonyms
CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C=CC3=CC(=C(C=C3)Cl)Cl
CCOC(=O)c1c(NC(=O)C=Cc2ccc(c(c2)Cl)Cl)sc2c1CCC(C2)CC
ethyl2(((2E)3(34dichlorophenyl)prop2enoyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
ethyl2(((E)3(34dichlorophenyl)prop2enoyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC22H23Cl2NO3Sc1313581518(1213)2921(20(15)22(27)2842)2519(26)107146916(23)17(24)1114h6791113H35812H212H3(H2526)b107+
MFCD01353014
ZINC000008430312
ZINC000008430314
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