Vitas-M small molecule compound
3-{[3-(cyclohexylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]carbamoyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Catalog ID
STK471229
SMILES CCc1c(C)sc(c1C(=O)NC1CCCCC1)NC(=O)C1C2CCC(C1C(=O)O)C=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 C24H32N2O4S MW 444.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H32N2O4S/c1-3-17-13(2)31-23(20(17)22(28)25-16-7-5-4-6-8-16)26-21(27)18-14-9-11-15(12-10-14)19(18)24(29)30/h9,11,14-16,18-19H,3-8,10,12H2,1-2H3,(H,25,28)(H,26,27)(H,29,30)InChIKey
GXXZHGMRFZNRPE-UHFFFAOYSA-NSynonyms
2((3(cyclohexylcarbamoyl)4ethyl5methylthiophen2yl)carbamoyl)bicyclo(222)oct5ene3carboxylicacid
3((3(cyclohexylcarbamoyl)4ethyl5methylthiophen2yl)carbamoyl)bicyclo(222)oct5ene2carboxylicacid
3(N(3(NCYCLOHEXYLCARBAMOYL)4ETHYL5METHYL2THIENYL)CARBAMOYL)BICYCLO(222)OCT5ENE2CARBOXYLICACID
CCC1=C(SC(=C1C(=O)NC2CCCCC2)NC(=O)C3C4CCC(C3C(=O)O)C=C4)C
InChI=1SC24H32N2O4Sc131713(2)3123(20(17)22(28)25167546816)2621(27)181491115(121014)19(18)24(29)30h91114161819H381012H212H3(H2528)(H2627)(H2930)
MFCD06025110
ZINC000102341683
ZINC000245227414
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