Vitas-M small molecule compound
3-{[3-(cyclohexylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK471312
SMILES CCc1c(C)sc(c1C(=O)NC1CCCCC1)NC(=O)C1C2C=CC(C1C(=O)O)C2
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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 C23H30N2O4S MW 430.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H30N2O4S/c1-3-16-12(2)30-22(19(16)21(27)24-15-7-5-4-6-8-15)25-20(26)17-13-9-10-14(11-13)18(17)23(28)29/h9-10,13-15,17-18H,3-8,11H2,1-2H3,(H,24,27)(H,25,26)(H,28,29)InChIKey
REVIYHNBHXJQAC-UHFFFAOYSA-NSynonyms
2((3(cyclohexylcarbamoyl)4ethyl5methylthiophen2yl)carbamoyl)bicyclo(221)hept5ene3carboxylicacid
3((3(cyclohexylcarbamoyl)4ethyl5methylthiophen2yl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
3(N(3(NCYCLOHEXYLCARBAMOYL)4ETHYL5METHYL2THIENYL)CARBAMOYL)BICYCLO(221)HEPT5ENE2CARBOXYLICACID
CCC1=C(SC(=C1C(=O)NC2CCCCC2)NC(=O)C3C4CC(C3C(=O)O)C=C4)C
InChI=1SC23H30N2O4Sc131612(2)3022(19(16)21(27)24157546815)2520(26)171391014(1113)18(17)23(28)29h91013151718H3811H212H3(H2427)(H2526)(H2829)
MFCD06025111
ZINC000102342293
ZINC000239402817
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