Vitas-M small molecule compound

4-[3-(3-nitrophenyl)-5-(quinoxalin-6-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid

Catalog ID
STK624432
SMILES OC(=O)CCC(=O)N1N=C(CC1c1ccc2c(c1)nccn2)c1cccc(c1)[N+](=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 C21H17N5O5 MW 419.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N5O5/c27-20(6-7-21(28)29)25-19(14-4-5-16-18(11-14)23-9-8-22-16)12-17(24-25)13-2-1-3-15(10-13)26(30)31/h1-5,8-11,19H,6-7,12H2,(H,28,29)
InChIKey
SGRHNKZHCYPESJ-UHFFFAOYSA-N
Synonyms
949223-52-3
4(3(3nitrophenyl)5(quinoxalin6yl)45dihydro1Hpyrazol1yl)4oxobutanoicacid
4(5(3nitrophenyl)3quinoxalin6yl34dihydropyrazol2yl)4oxobutanoicacid
949223523
C1C(N(N=C1C2=CC(=CC=C2)(N+)(=O)(O))C(=O)CCC(=O)O)C3=CC4=NC=CN=C4C=C3
InChI=1SC21H17N5O5c2720(6721(28)29)2519(14451618(1114)23982216)1217(2425)1321315(1013)26(30)31h1581119H6712H2(H2829)
MFCD09852194
OC(=O)CCC(=O)N1N=C(CC1c1ccc2c(c1)nccn2)c1cccc(c1)(N+)(=O)(O)
ZINC000012981295
ZINC000012981297

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Available files

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