Vitas-M small molecule compound
ethyl 2-{[(4-ethoxyphenyl)carbamothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Catalog ID
STK438980
SMILES CCOc1ccc(cc1)NC(=S)Nc1sc2c(c1C(=O)OCC)CCCCCC2
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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 C22H28N2O3S2 MW 432.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N2O3S2/c1-3-26-16-13-11-15(12-14-16)23-22(28)24-20-19(21(25)27-4-2)17-9-7-5-6-8-10-18(17)29-20/h11-14H,3-10H2,1-2H3,(H2,23,24,28)InChIKey
WNVGZYSGBOSODH-UHFFFAOYSA-NSynonyms
CCOC1=CC=C(C=C1)NC(=S)NC2=C(C3=C(S2)CCCCCC3)C(=O)OCC
ethyl2(((4ethoxyphenyl)carbamothioyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
ethyl2((4ethoxyphenyl)carbamothioylamino)456789hexahydrocycloocta(b)thiophene3carboxylate
InChI=1SC22H28N2O3S2c132616131115(121416)2322(28)242019(21(25)2742)17975681018(17)2920h1114H310H212H3(H2232428)
MFCD03945845
ZINC000005949217
ZINC05949217
ZINC5949217
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