Vitas-M small molecule compound
methyl 2-{[(2E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino}-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL172637
SMILES COC(=O)c1c(NC(=O)/C=C/c2ccc(c(c2)Cl)Cl)sc2c1CCC(C2)c1ccccc1
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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 C25H21Cl2NO3S MW 486.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21Cl2NO3S/c1-31-25(30)23-18-10-9-17(16-5-3-2-4-6-16)14-21(18)32-24(23)28-22(29)12-8-15-7-11-19(26)20(27)13-15/h2-8,11-13,17H,9-10,14H2,1H3,(H,28,29)/b12-8+InChIKey
GFSHILHTGTXODB-XYOKQWHBSA-NSynonyms
514801-31-1514801311
COC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)C=CC4=CC(=C(C=C4)Cl)Cl
COC(=O)c1c(NC(=O)C=Cc2ccc(c(c2)Cl)Cl)sc2c1CCC(C2)c1ccccc1
InChI=1SC25H21Cl2NO3Sc13125(30)231810917(165324616)1421(18)3224(23)2822(29)1281571119(26)20(27)1315h28111317H91014H21H3(H2829)b128+
methyl2(((2E)3(34dichlorophenyl)prop2enoyl)amino)6phenyl4567tetrahydro1benzothiophene3carboxylate
methyl2(((E)3(34dichlorophenyl)prop2enoyl)amino)6phenyl4567tetrahydro1benzothiophene3carboxylate
MFCD02056105
ZINC000002756376
ZINC000002756378
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