Vitas-M small molecule compound
4-[hydroxy(diphenyl)methyl]-N-(2-methoxy-4-nitrophenyl)piperidine-1-carbothioamide
Catalog ID
STK448271
SMILES COc1cc(ccc1NC(=S)N1CCC(CC1)C(c1ccccc1)(c1ccccc1)O)[N+](=O)[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 C26H27N3O4S MW 477.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O4S/c1-33-24-18-22(29(31)32)12-13-23(24)27-25(34)28-16-14-21(15-17-28)26(30,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,18,21,30H,14-17H2,1H3,(H,27,34)InChIKey
ULODQCWPGGMRBE-UHFFFAOYSA-NSynonyms
(1(((2METHOXY4NITROPHENYL)AMINO)THIOXOMETHYL)(4PIPERIDYL))DIPHENYLMETHAN1OL
4(hydroxy(diphenyl)methyl)N(2methoxy4nitrophenyl)piperidine1carbothioamide
COC1=C(C=CC(=C1)(N+)(=O)(O))NC(=S)N2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
COc1cc(ccc1NC(=S)N1CCC(CC1)C(c1ccccc1)(c1ccccc1)O)(N+)(=O)(O)
InChI=1SC26H27N3O4Sc133241822(29(31)32)121323(24)2725(34)28161421(151728)26(30198425919)20106371120h213182130H1417H21H3(H2734)
MFCD04140009
ZINC000020228494
ZINC20228494
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