Vitas-M small molecule compound
6-{[1-(4-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Catalog ID
STK316828
SMILES O=C(C1CC=CCC1C(=O)O)Nc1c(C)nn(c1C)Cc1ccc(cc1)Cl
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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 C20H22ClN3O3 MW 387.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22ClN3O3/c1-12-18(22-19(25)16-5-3-4-6-17(16)20(26)27)13(2)24(23-12)11-14-7-9-15(21)10-8-14/h3-4,7-10,16-17H,5-6,11H2,1-2H3,(H,22,25)(H,26,27)InChIKey
USIUGWOPSFXAQY-UHFFFAOYSA-NSynonyms
515150-22-8515150228
6(((1(4CHLOROBENZYL)35DIMETHYL1HPYRAZOL4YL)AMINO)CARBONYL)3CYCLOHEXENE1CARBOXYLICACID
6(((1(4CHLOROBENZYL)35DIMETHYL1HPYRAZOL4YL)AMINO)CARBONYL)CYCLOHEX3ENE1CARBOXYLICACID
6((1((4CHLOROPHENYL)METHYL)35DIMETHYLPYRAZOL4YL)CARBAMOYL)CYCLOHEX3ENE1CARBOXYLICACID
6((1(4chlorobenzyl)35dimethyl1Hpyrazol4yl)carbamoyl)cyclohex3ene1carboxylicacid
CC1=C(C(=NN1CC2=CC=C(C=C2)Cl)C)NC(=O)C3CC=CCC3C(=O)O
InChI=1SC20H22ClN3O3c11218(2219(25)16534617(16)20(26)27)13(2)24(2312)11147915(21)10814h347101617H5611H212H3(H2225)(H2627)
MFCD03072547
ZINC000002763497
ZINC000002763500
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