Vitas-M small molecule compound
ethyl 2-{[(4-methylphenyl)carbamothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Catalog ID
STK438971
SMILES CCOC(=O)c1c(NC(=S)Nc2ccc(cc2)C)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/c1-3-25-20(24)18-16-8-6-4-5-7-9-17(16)27-19(18)23-21(26)22-15-12-10-14(2)11-13-15/h10-13H,3-9H2,1-2H3,(H2,22,23,26)InChIKey
OTSGBRDNSZZSFS-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=S)NC3=CC=C(C=C3)C
ethyl2(((4methylphenyl)carbamothioyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
ethyl2((4methylphenyl)carbamothioylamino)456789hexahydrocycloocta(b)thiophene3carboxylate
InChI=1SC21H26N2O2S2c132520(24)181686457917(16)2719(18)2321(26)2215121014(2)111315h1013H39H212H3(H2222326)
MFCD03945835
ZINC000005948041
ZINC05948041
ZINC5948041
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