Vitas-M small molecule compound
ethyl 2-({[4-(tetrahydrofuran-2-ylcarbonyl)piperazin-1-yl]carbonothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Catalog ID
STK456461
SMILES CCOC(=O)c1c(NC(=S)N2CCN(CC2)C(=O)C2CCCO2)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 C23H33N3O4S2 MW 479.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H33N3O4S2/c1-2-29-22(28)19-16-8-5-3-4-6-10-18(16)32-20(19)24-23(31)26-13-11-25(12-14-26)21(27)17-9-7-15-30-17/h17H,2-15H2,1H3,(H,24,31)InChIKey
RPWQERMTFJJTDG-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=S)N3CCN(CC3)C(=O)C4CCCO4
ethyl2(((4(tetrahydrofuran2ylcarbonyl)piperazin1yl)carbonothioyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
ethyl2((4(oxolane2carbonyl)piperazine1carbothioyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
InChI=1SC23H33N3O4S2c122922(28)1916853461018(16)3220(19)2423(31)26131125(121426)21(27)1797153017h17H215H21H3(H2431)
MFCD05136192
ZINC000002857785
ZINC000002857786
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