Vitas-M small molecule compound

4-methyl-3-({[2-(4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)benzoic acid

Catalog ID
STK062374
SMILES O=C1c2cc(ccc2C(=O)N1c1ccc(cc1)[N+](=O)[O-])C(=O)Nc1cc(ccc1C)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 C23H15N3O7 MW 445.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H15N3O7/c1-12-2-3-14(23(30)31)11-19(12)24-20(27)13-4-9-17-18(10-13)22(29)25(21(17)28)15-5-7-16(8-6-15)26(32)33/h2-11H,1H3,(H,24,27)(H,30,31)
InChIKey
CVGHJUYFIRTXJT-UHFFFAOYSA-N
Synonyms

3((13DIKETO2(4NITROPHENYL)ISOINDOLINE5CARBONYL)AMINO)4METHYLBENZOICACID
4METHYL3(((2(4NITROPHENYL)13DIOXO23DIHYDRO1HISOINDOL5YL)CARBONYL)AMINO)BENZOICACID
4METHYL3(((2(4NITROPHENYL)13DIOXO5ISOINDOLYL)OXOMETHYL)AMINO)BENZOICACID
4METHYL3((2(4NITROPHENYL)13BIS(OXIDANYLIDENE)ISOINDOL5YL)CARBONYLAMINO)BENZOICACID
4METHYL3((2(4NITROPHENYL)13DIOXOISOINDOLE5CARBONYL)AMINO)BENZOICACID
CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC23H15N3O7c1122314(23(30)31)1119(12)2420(27)13491718(1013)22(29)25(21(17)28)155716(8615)26(32)33h211H1H3(H2427)(H3031)
MFCD01137390
O=C1c2cc(ccc2C(=O)N1c1ccc(cc1)(N+)(=O)(O))C(=O)Nc1cc(ccc1C)C(=O)O
STK062374
ZINC000013897074
ZINC13897074

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Available files

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