Vitas-M small molecule compound
ethyl 2-({[4-(3-hydroxyphenyl)piperazin-1-yl]carbonothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Catalog ID
STK446333
SMILES CCOC(=O)c1c(NC(=S)N2CCN(CC2)c2cccc(c2)O)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 C24H31N3O3S2 MW 473.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31N3O3S2/c1-2-30-23(29)21-19-10-5-3-4-6-11-20(19)32-22(21)25-24(31)27-14-12-26(13-15-27)17-8-7-9-18(28)16-17/h7-9,16,28H,2-6,10-15H2,1H3,(H,25,31)InChIKey
FHIXLEWUEXKIAU-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=S)N3CCN(CC3)C4=CC(=CC=C4)O
ethyl2(((4(3hydroxyphenyl)piperazin1yl)carbonothioyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
ethyl2((4(3hydroxyphenyl)piperazine1carbothioyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
InChI=1SC24H31N3O3S2c123023(29)21191053461120(19)3222(21)2524(31)27141226(131527)1787918(28)1617h791628H261015H21H3(H2531)
MFCD04058745
ZINC000020168471
ZINC20168471
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