Vitas-M small molecule compound
3-{(4Z)-3-methyl-4-[4-(4-methyl-3-nitropiperazin-1-yl)benzylidene]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Catalog ID
STK379200
SMILES CN1CCN(CC1[N+](=O)[O-])c1ccc(cc1)/C=C\1/C(=NN(C1=O)c1cccc(c1)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 C23H23N5O5 MW 449.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N5O5/c1-15-20(22(29)27(24-15)19-5-3-4-17(13-19)23(30)31)12-16-6-8-18(9-7-16)26-11-10-25(2)21(14-26)28(32)33/h3-9,12-13,21H,10-11,14H2,1-2H3,(H,30,31)/b20-12-InChIKey
WBENBUAPLJTUQS-NDENLUEZSA-NSynonyms
3((4Z)3METHYL4((4(4METHYL3NITROPIPERAZIN1YL)PHENYL)METHYLIDENE)5OXOPYRAZOL1YL)BENZOICACID
3((4Z)3methyl4(4(4methyl3nitropiperazin1yl)benzylidene)5oxo45dihydro1Hpyrazol1yl)benzoicacid
3(3METHYL4((4(4METHYL3NITROPIPERAZINYL)PHENYL)METHYLENE)5OXO12DIAZOLINYL)BENZOICACID
CC1=NN(C(=O)C1=CC2=CC=C(C=C2)N3CCN(C(C3)(N+)(=O)(O))C)C4=CC=CC(=C4)C(=O)O
CN1CCN(CC1(N+)(=O)(O))c1ccc(cc1)C=C1C(=NN(C1=O)c1cccc(c1)C(=O)O)C
InChI=1SC23H23N5O5c11520(22(29)27(2415)1953417(1319)23(30)31)12166818(9716)26111025(2)21(1426)28(32)33h39121321H101114H212H3(H3031)b2012
MFCD01874724
ZINC000019323404
ZINC000019333433
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