Vitas-M small molecule compound
propan-2-yl 2-{[(2E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK444991
SMILES CC1CCc2c(C1)sc(c2C(=O)OC(C)C)NC(=O)/C=C/c1ccc(cc1Cl)Cl
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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/c1-12(2)28-22(27)20-16-8-4-13(3)10-18(16)29-21(20)25-19(26)9-6-14-5-7-15(23)11-17(14)24/h5-7,9,11-13H,4,8,10H2,1-3H3,(H,25,26)/b9-6+InChIKey
XGMCHKAQPIHOPM-RMKNXTFCSA-NSynonyms
CC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)C=CC3=C(C=C(C=C3)Cl)Cl
CC1CCc2c(C1)sc(c2C(=O)OC(C)C)NC(=O)C=Cc1ccc(cc1Cl)Cl
InChI=1SC22H23Cl2NO3Sc112(2)2822(27)20168413(3)1018(16)2921(20)2519(26)96145715(23)1117(14)24h5791113H4810H213H3(H2526)b96+
MFCD01342630
propan2yl2(((2E)3(24dichlorophenyl)prop2enoyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
propan2yl2(((E)3(24dichlorophenyl)prop2enoyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ZINC000002093194
ZINC000002093199
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