Vitas-M small molecule compound
3-{[3-(cyclohexylcarbamoyl)-4,5-dimethylthiophen-2-yl]carbamoyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Catalog ID
STK471119
SMILES O=C(C1C2CCC(C1C(=O)O)C=C2)Nc1sc(c(c1C(=O)NC1CCCCC1)C)C
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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/c1-12-13(2)30-22(17(12)20(26)24-16-6-4-3-5-7-16)25-21(27)18-14-8-10-15(11-9-14)19(18)23(28)29/h8,10,14-16,18-19H,3-7,9,11H2,1-2H3,(H,24,26)(H,25,27)(H,28,29)InChIKey
WGYHLOSQUOFJSW-UHFFFAOYSA-NSynonyms
2((3(cyclohexylcarbamoyl)45dimethylthiophen2yl)carbamoyl)bicyclo(222)oct5ene3carboxylicacid
3((3(cyclohexylcarbamoyl)45dimethylthiophen2yl)carbamoyl)bicyclo(222)oct5ene2carboxylicacid
3(N(3(NCYCLOHEXYLCARBAMOYL)45DIMETHYL2THIENYL)CARBAMOYL)BICYCLO(222)OCT5ENE2CARBOXYLICACID
CC1=C(SC(=C1C(=O)NC2CCCCC2)NC(=O)C3C4CCC(C3C(=O)O)C=C4)C
InChI=1SC23H30N2O4Sc11213(2)3022(17(12)20(26)24166435716)2521(27)181481015(11914)19(18)23(28)29h81014161819H37911H212H3(H2426)(H2527)(H2829)
MFCD06022392
ZINC000102341147
ZINC000239235589
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