Vitas-M small molecule compound
ethyl 2-[({4-[hydroxy(diphenyl)methyl]piperidin-1-yl}carbonothioyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Catalog ID
STK448216
SMILES CCOC(=O)c1c(NC(=S)N2CCC(CC2)C(c2ccccc2)(c2ccccc2)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 C32H38N2O3S2 MW 562.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H38N2O3S2/c1-2-37-30(35)28-26-17-11-3-4-12-18-27(26)39-29(28)33-31(38)34-21-19-25(20-22-34)32(36,23-13-7-5-8-14-23)24-15-9-6-10-16-24/h5-10,13-16,25,36H,2-4,11-12,17-22H2,1H3,(H,33,38)InChIKey
LDYLAOTZASSDMZ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=S)N3CCC(CC3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O
ethyl2(((4(hydroxy(diphenyl)methyl)piperidin1yl)carbonothioyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
ethyl2((4(hydroxy(diphenyl)methyl)piperidine1carbothioyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
InChI=1SC32H38N2O3S2c123730(35)2826171134121827(26)3929(28)3331(38)34211925(202234)32(3623137581423)241596101624h51013162536H2411121722H21H3(H3338)
MFCD04138176
ZINC000097948314
ZINC97948314
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