Vitas-M small molecule compound
methyl 2-{[(2,2,2-trichloro-1-{[(4-methoxyphenyl)carbonyl]amino}ethyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK861853
SMILES COc1ccc(cc1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)Nc1sc2c(c1C(=O)OC)CCCC2
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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 C21H22Cl3N3O4S2 MW 550.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22Cl3N3O4S2/c1-30-12-9-7-11(8-10-12)16(28)25-19(21(22,23)24)27-20(32)26-17-15(18(29)31-2)13-5-3-4-6-14(13)33-17/h7-10,19H,3-6H2,1-2H3,(H,25,28)(H2,26,27,32)InChIKey
FPHYVVAMGSUMJP-UHFFFAOYSA-NSynonyms
COC1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC
InChI=1SC21H22Cl3N3O4S2c130129711(81012)16(28)2519(21(2223)24)2720(32)261715(18(29)312)13534614(13)3317h71019H36H212H3(H2528)(H2262732)
methyl2(((222trichloro1(((4methoxyphenyl)carbonyl)amino)ethyl)carbamothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((222trichloro1((4methoxybenzoyl)amino)ethyl)carbamothioylamino)4567tetrahydro1benzothiophene3carboxylate
MFCD01458979
ZINC000002682750
ZINC000002682751
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