Vitas-M small molecule compound

4-[3-(4-methylphenyl)-4-(3-nitrophenyl)-6-oxo-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl]benzoic acid

Catalog ID
STK327869
SMILES Cc1ccc(cc1)c1n[nH]c2c1C(c1cccc(c1)[N+](=O)[O-])N(C2=O)c1ccc(cc1)C(=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 C25H18N4O5 MW 454.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18N4O5/c1-14-5-7-15(8-6-14)21-20-22(27-26-21)24(30)28(18-11-9-16(10-12-18)25(31)32)23(20)17-3-2-4-19(13-17)29(33)34/h2-13,23H,1H3,(H,26,27)(H,31,32)
InChIKey
ONJNAIYRFSGJRO-UHFFFAOYSA-N
Synonyms
834906-86-4
4(3(4METHYLPHENYL)4(3NITROPHENYL)6OXO14DIHYDROPYRROLO(34C)PYRAZOL5YL)BENZOICACID
4(3(4methylphenyl)4(3nitrophenyl)6oxo46dihydropyrrolo(34c)pyrazol5(1H)yl)benzoicacid
834906864
CC1=CC=C(C=C1)C2=NNC3=C2C(N(C3=O)C4=CC=C(C=C4)C(=O)O)C5=CC(=CC=C5)(N+)(=O)(O)
Cc1ccc(cc1)c1n(nH)c2c1C(c1cccc(c1)(N+)(=O)(O))N(C2=O)c1ccc(cc1)C(=O)O
InChI=1SC25H18N4O5c1145715(8614)212022(272621)24(30)28(1811916(101218)25(31)32)23(20)1732419(1317)29(33)34h21323H1H3(H2627)(H3132)
MFCD06196137
ZINC000002751174
ZINC000002751175

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Available files

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