Vitas-M small molecule compound
3-{[4-ethyl-5-methyl-3-(phenylcarbamoyl)thiophen-2-yl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid
Catalog ID
STK471719
SMILES CCc1c(C)sc(c1C(=O)Nc1ccccc1)NC(=O)C1C2CCC(C1C(=O)O)CC2
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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 C24H28N2O4S MW 440.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N2O4S/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/h4-8,14-15,18-19H,3,9-12H2,1-2H3,(H,25,28)(H,26,27)(H,29,30)InChIKey
KZXSFHJRRITBNS-UHFFFAOYSA-NSynonyms
2((4ethyl5methyl3(phenylcarbamoyl)thiophen2yl)carbamoyl)bicyclo(222)octane3carboxylicacid
3((4ethyl5methyl3(phenylcarbamoyl)thiophen2yl)carbamoyl)bicyclo(222)octane2carboxylicacid
3(N(4ETHYL5METHYL3(NPHENYLCARBAMOYL)2THIENYL)CARBAMOYL)BICYCLO(222)OCTANE2CARBOXYLICACID
CCC1=C(SC(=C1C(=O)NC2=CC=CC=C2)NC(=O)C3C4CCC(C3C(=O)O)CC4)C
InChI=1SC24H28N2O4Sc131713(2)3123(20(17)22(28)25167546816)2621(27)181491115(121014)19(18)24(29)30h4814151819H3912H212H3(H2528)(H2627)(H2930)
MFCD06026386
ZINC000019632077
ZINC000019632086
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