Vitas-M small molecule compound
ethyl 2-[(benzylcarbamothioyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Catalog ID
STK438539
SMILES CCOC(=O)c1c(NC(=S)NCc2ccccc2)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 C21H26N2O2S2 MW 402.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N2O2S2/c1-2-25-20(24)18-16-12-8-3-4-9-13-17(16)27-19(18)23-21(26)22-14-15-10-6-5-7-11-15/h5-7,10-11H,2-4,8-9,12-14H2,1H3,(H2,22,23,26)InChIKey
VKAOBCVFWLDATQ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=S)NCC3=CC=CC=C3
ethyl2((benzylcarbamothioyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
ethyl2(benzylcarbamothioylamino)456789hexahydrocycloocta(b)thiophene3carboxylate
InChI=1SC21H26N2O2S2c122520(24)18161283491317(16)2719(18)2321(26)221415106571115h571011H24891214H21H3(H2222326)
MFCD03945502
ZINC000005979991
ZINC05979991
ZINC5979991
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