Vitas-M small molecule compound

4-(methylsulfonyl)-2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid

Catalog ID
STL254668
SMILES OC(=O)C(N1C(=O)c2c(C1=O)cccc2[N+](=O)[O-])CCS(=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 C13H12N2O8S MW 356.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12N2O8S/c1-24(22,23)6-5-9(13(18)19)14-11(16)7-3-2-4-8(15(20)21)10(7)12(14)17/h2-4,9H,5-6H2,1H3,(H,18,19)
InChIKey
OHLPHVAGZZSLMY-UHFFFAOYSA-N
Synonyms
667406-18-0
(2R)4(METHYLSULFONYL)2(4NITRO13DIOXO13DIHYDRO2HISOINDOL2YL)BUTANOICACID
(2S)4(METHYLSULFONYL)2(4NITRO13DIOXO13DIHYDRO2HISOINDOL2YL)BUTANOICACID
4(methylsulfonyl)2(4nitro13dioxo13dihydro2Hisoindol2yl)butanoicacid
4(methylsulfonyl)2(4nitro13dioxoisoindolin2yl)butanoicacid
4METHYLSULFONYL2(4NITRO13DIOXOISOINDOL2YL)BUTANOICACID
667406180
CS(=O)(=O)CCC(C(=O)O)N1C(=O)C2=C(C1=O)C(=CC=C2)(N+)(=O)(O)
InChI=1SC13H12N2O8Sc124(2223)659(13(18)19)1411(16)73248(15(20)21)10(7)12(14)17h249H56H21H3(H1819)
MFCD03605065
OC(=O)C(N1C(=O)c2c(C1=O)cccc2(N+)(=O)(O))CCS(=O)(=O)C
ZINC000002254178
ZINC000002254179

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Available files

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