Vitas-M small molecule compound
ethyl 2-{[(4-ethylphenyl)carbamothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Catalog ID
STK438987
SMILES CCOC(=O)c1c(NC(=S)Nc2ccc(cc2)CC)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 C22H28N2O2S2 MW 416.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N2O2S2/c1-3-15-11-13-16(14-12-15)23-22(27)24-20-19(21(25)26-4-2)17-9-7-5-6-8-10-18(17)28-20/h11-14H,3-10H2,1-2H3,(H2,23,24,27)InChIKey
UUBGUHZXIVLRCJ-UHFFFAOYSA-NSynonyms
CCC1=CC=C(C=C1)NC(=S)NC2=C(C3=C(S2)CCCCCC3)C(=O)OCC
ethyl2(((4ethylphenyl)carbamothioyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
ethyl2((4ethylphenyl)carbamothioylamino)456789hexahydrocycloocta(b)thiophene3carboxylate
InChI=1SC22H28N2O2S2c1315111316(141215)2322(27)242019(21(25)2642)17975681018(17)2820h1114H310H212H3(H2232427)
MFCD03945852
ZINC000006283937
ZINC06283937
ZINC6283937
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