Vitas-M small molecule compound
methyl 2-({[4-(methylsulfonyl)piperazin-1-yl]carbonothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Catalog ID
STK457531
SMILES COC(=O)c1c(NC(=S)N2CCN(CC2)S(=O)(=O)C)sc2c1CCCCCC2
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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 C18H27N3O4S3 MW 445.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H27N3O4S3/c1-25-17(22)15-13-7-5-3-4-6-8-14(13)27-16(15)19-18(26)20-9-11-21(12-10-20)28(2,23)24/h3-12H2,1-2H3,(H,19,26)InChIKey
PSZHUFYZFYTFRI-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(SC2=C1CCCCCC2)NC(=S)N3CCN(CC3)S(=O)(=O)C
InChI=1SC18H27N3O4S3c12517(22)151375346814(13)2716(15)1918(26)2091121(121020)28(223)24h312H212H3(H1926)
methyl2(((4(methylsulfonyl)piperazin1yl)carbonothioyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
methyl2((4methylsulfonylpiperazine1carbothioyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
MFCD05060197
ZINC000002851919
ZINC02851919
ZINC2851919
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.