Vitas-M small molecule compound
methyl 3-chloro-6-[({4-[hydroxy(diphenyl)methyl]piperidin-1-yl}carbonothioyl)amino]-1-benzothiophene-2-carboxylate
Catalog ID
STK448208
SMILES COC(=O)c1sc2c(c1Cl)ccc(c2)NC(=S)N1CCC(CC1)C(c1ccccc1)(c1ccccc1)O
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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 C29H27ClN2O3S2 MW 551.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27ClN2O3S2/c1-35-27(33)26-25(30)23-13-12-22(18-24(23)37-26)31-28(36)32-16-14-21(15-17-32)29(34,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,18,21,34H,14-17H2,1H3,(H,31,36)InChIKey
OCZXGAPKTBGZLL-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)N3CCC(CC3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O)Cl
InChI=1SC29H27ClN2O3S2c13527(33)2625(30)23131222(1824(23)3726)3128(36)32161421(151732)29(34198425919)20106371120h213182134H1417H21H3(H3136)
methyl3chloro6(((4(hydroxy(diphenyl)methyl)piperidin1yl)carbonothioyl)amino)1benzothiophene2carboxylate
METHYL3CHLORO6(((4(HYDROXYDIPHENYLMETHYL)PIPERIDYL)THIOXOMETHYL)AMINO)BENZO(B)THIOPHENE2CARBOXYLATE
methyl3chloro6((4(hydroxy(diphenyl)methyl)piperidine1carbothioyl)amino)1benzothiophene2carboxylate
MFCD04138038
ZINC000097948067
ZINC97948067
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