Vitas-M small molecule compound

2-(4-methyl-3-nitrophenyl)-2-oxoethyl 2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate

Catalog ID
STK537400
SMILES O=C(c1ccc2c(c1)C(=O)N(C2=O)c1c(C)n(n(c1=O)c1ccccc1)C)OCC(=O)c1ccc(c(c1)[N+](=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 C29H22N4O8 MW 554.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22N4O8/c1-16-9-10-18(14-23(16)33(39)40)24(34)15-41-29(38)19-11-12-21-22(13-19)27(36)31(26(21)35)25-17(2)30(3)32(28(25)37)20-7-5-4-6-8-20/h4-14H,15H2,1-3H3
InChIKey
OUMVJEBNCRCMIG-UHFFFAOYSA-N
Synonyms
312947-64-1
(2(4METHYL3NITROPHENYL)2OXOETHYL)2(15DIMETHYL3OXO2PHENYLPYRAZOL4YL)13DIOXOISOINDOLE5CARBOXYLATE
2(4methyl3nitrophenyl)2oxoethyl2(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)13dioxo23dihydro1Hisoindole5carboxylate
2(4methyl3nitrophenyl)2oxoethyl2(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)13dioxoisoindoline5carboxylate
312947641
CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C)(N+)(=O)(O)
InChI=1SC29H22N4O8c11691018(1423(16)33(39)40)24(34)154129(38)1911122122(1319)27(36)31(26(21)35)2517(2)30(3)32(28(25)37)207546820h414H15H213H3
MFCD01622984
O=C(c1ccc2c(c1)C(=O)N(C2=O)c1c(C)n(n(c1=O)c1ccccc1)C)OCC(=O)c1ccc(c(c1)(N+)(=O)(O))C
ZINC000001739454
ZINC01739454
ZINC1739454

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Available files

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