Vitas-M small molecule compound
1-(4-butylphenyl)-5-(4-chlorophenyl)-3-methyl-1H-pyrazole-4-carboxylic acid
Catalog ID
STK893703
SMILES CCCCc1ccc(cc1)n1nc(c(c1c1ccc(cc1)Cl)C(=O)O)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 C21H21ClN2O2 MW 368.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN2O2/c1-3-4-5-15-6-12-18(13-7-15)24-20(16-8-10-17(22)11-9-16)19(21(25)26)14(2)23-24/h6-13H,3-5H2,1-2H3,(H,25,26)InChIKey
VBVGABOVLPXZQR-UHFFFAOYSA-NSynonyms
956786-73-51(4butylphenyl)5(4chlorophenyl)3methyl1Hpyrazole4carboxylicacid
1(4BUTYLPHENYL)5(4CHLOROPHENYL)3METHYLPYRAZOLE4CARBOXYLICACID
956786735
CCCCC1=CC=C(C=C1)N2C(=C(C(=N2)C)C(=O)O)C3=CC=C(C=C3)Cl
InChI=1SC21H21ClN2O2c13451561218(13715)2420(1681017(22)11916)19(21(25)26)14(2)2324h613H35H212H3(H2526)
MFCD06653344
ZINC000004237732
ZINC4237732
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