Vitas-M small molecule compound

ethyl 2-({[4-(furan-2-ylcarbonyl)piperazin-1-yl]carbonothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

Catalog ID
STK456104
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 C23H29N3O4S2 MW 475.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29N3O4S2/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/h7,9,15H,2-6,8,10-14H2,1H3,(H,24,31)
InChIKey
QNPVWJCOCVYFEP-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=S)N3CCN(CC3)C(=O)C4=CC=CO4
ethyl2(((4(furan2ylcarbonyl)piperazin1yl)carbonothioyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
ethyl2((4(furan2carbonyl)piperazine1carbothioyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
InChI=1SC23H29N3O4S2c122922(28)1916853461018(16)3220(19)2423(31)26131125(121426)21(27)1797153017h7915H2681014H21H3(H2431)
MFCD05135289
ZINC000001119940
ZINC01119940
ZINC1119940

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Available files

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