Vitas-M small molecule compound

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

Catalog ID
STK662588
SMILES OC(=O)c1ccc(cc1)S(=O)(=O)c1ccc2c(c1)C(=O)N(C2=O)c1ccc(c(c1)C)[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 C22H14N2O8S MW 466.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14N2O8S/c1-12-10-14(4-9-19(12)24(29)30)23-20(25)17-8-7-16(11-18(17)21(23)26)33(31,32)15-5-2-13(3-6-15)22(27)28/h2-11H,1H3,(H,27,28)
InChIKey
BWEOZHIJIVKXFD-UHFFFAOYSA-N
Synonyms

4((2(3METHYL4NITROPHENYL)13DIOXO23DIHYDRO1HISOINDOL5YL)SULFONYL)BENZOICACID
4((2(3METHYL4NITROPHENYL)13DIOXOBENZO(C)AZOLIDIN5YL)SULFONYL)BENZOICACID
4(2(3METHYL4NITROPHENYL)13DIOXOISOINDOL5YL)SULFONYLBENZOICACID
CC1=C(C=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)C(=O)O)(N+)(=O)(O)
InChI=1SC22H14N2O8Sc1121014(4919(12)24(29)30)2320(25)178716(1118(17)21(23)26)33(3132)155213(3615)22(27)28h211H1H3(H2728)
MFCD01186227
OC(=O)c1ccc(cc1)S(=O)(=O)c1ccc2c(c1)C(=O)N(C2=O)c1ccc(c(c1)C)(N+)(=O)(O)
ZINC000008424557
ZINC8424557

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Available files

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