Vitas-M small molecule compound
ethyl 2-{[(4-{[(2-chlorophenyl)carbonyl]amino}phenyl)carbonyl]amino}-3a,4,5,6,7,7a-hexahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK778290
SMILES CCOC(=O)C1=C(SC2C1CCCC2)NC(=O)c1ccc(cc1)NC(=O)c1ccccc1Cl
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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 C25H25ClN2O4S MW 485.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25ClN2O4S/c1-2-32-25(31)21-18-8-4-6-10-20(18)33-24(21)28-22(29)15-11-13-16(14-12-15)27-23(30)17-7-3-5-9-19(17)26/h3,5,7,9,11-14,18,20H,2,4,6,8,10H2,1H3,(H,27,30)(H,28,29)InChIKey
ILYAGLMZYSYEHA-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2C1CCCC2)NC(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4Cl
ethyl2(((4(((2chlorophenyl)carbonyl)amino)phenyl)carbonyl)amino)3a45677ahexahydro1benzothiophene3carboxylate
ethyl2((4((2chlorobenzoyl)amino)benzoyl)amino)3a45677ahexahydro1benzothiophene3carboxylate
InChI=1SC25H25ClN2O4Sc123225(31)21188461020(18)3324(21)2822(29)15111316(141215)2723(30)17735919(17)26h357911141820H246810H21H3(H2730)(H2829)
MFCD05856349
ZINC000012412804
ZINC000012412810
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