Vitas-M small molecule compound
4-[5-(2-chlorophenyl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
Catalog ID
STL331338
SMILES COc1cc(ccc1OC)C1=NN(C(C1)c1ccccc1Cl)C(=O)CCC(=O)O
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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 C21H21ClN2O5 MW 416.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN2O5/c1-28-18-8-7-13(11-19(18)29-2)16-12-17(14-5-3-4-6-15(14)22)24(23-16)20(25)9-10-21(26)27/h3-8,11,17H,9-10,12H2,1-2H3,(H,26,27)InChIKey
ACZOMONSVCMHIW-UHFFFAOYSA-NSynonyms
370853-48-8370853488
4(3(2CHLOROPHENYL)5(34DIMETHOXYPHENYL)34DIHYDROPYRAZOL2YL)4OXOBUTANOICACID
4(5(2chlorophenyl)3(34dimethoxyphenyl)45dihydro1Hpyrazol1yl)4oxobutanoicacid
COC1=C(C=C(C=C1)C2=NN(C(C2)C3=CC=CC=C3Cl)C(=O)CCC(=O)O)OC
InChI=1SC21H21ClN2O5c128188713(1119(18)292)161217(14534615(14)22)24(2316)20(25)91021(26)27h381117H91012H212H3(H2627)
MFCD02735661
ZINC000000890338
ZINC000000890340
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