Vitas-M small molecule compound

4-[3-(4-methylphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid

Catalog ID
STK534569
SMILES OC(=O)CCC(=O)N1N=C(CC1c1cccc(c1)[N+](=O)[O-])c1ccc(cc1)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 C20H19N3O5 MW 381.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O5/c1-13-5-7-14(8-6-13)17-12-18(15-3-2-4-16(11-15)23(27)28)22(21-17)19(24)9-10-20(25)26/h2-8,11,18H,9-10,12H2,1H3,(H,25,26)
InChIKey
WCKYYERUSYLGRB-UHFFFAOYSA-N
Synonyms
332390-96-2
332390962
4(3(4methylphenyl)5(3nitrophenyl)45dihydro1Hpyrazol1yl)4oxobutanoicacid
4(5(3NITROPHENYL)3(4METHYLPHENYL)45DIHYDRO1HPYRAZOL1YL)4OXOBUTANOICACID
4(5(3NITROPHENYL)3(PTOLYL)45DIHYDRO1HPYRAZOL1YL)4OXOBUTANOICACID
4(5(3NITROPHENYL)3PTOLYL45DIHYDROPYRAZOL1YL)4OXOBUTYRICACID
4(5(4METHYLPHENYL)3(3NITROPHENYL)34DIHYDROPYRAZOL2YL)4OXOBUTANOICACID
CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC(=CC=C3)(N+)(=O)(O))C(=O)CCC(=O)O
InChI=1SC20H19N3O5c1135714(8613)171218(1532416(1115)23(27)28)22(2117)19(24)91020(25)26h281118H91012H21H3(H2526)
MFCD02049762
OC(=O)CCC(=O)N1N=C(CC1c1cccc(c1)(N+)(=O)(O))c1ccc(cc1)C
ZINC000000669919
ZINC000003864944

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.