Vitas-M small molecule compound
4-{[2-(2-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]sulfonyl}benzoic acid
Catalog ID
STK038305
SMILES O=C1c2cc(ccc2C(=O)N1c1ccccc1[N+](=O)[O-])S(=O)(=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 C21H12N2O8S MW 452.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H12N2O8S/c24-19-15-10-9-14(32(30,31)13-7-5-12(6-8-13)21(26)27)11-16(15)20(25)22(19)17-3-1-2-4-18(17)23(28)29/h1-11H,(H,26,27)InChIKey
CDAQMFOIZKVYCI-UHFFFAOYSA-NSynonyms
5746-53-24((2(2NITROPHENYL)13DIOXO23DIHYDRO1HISOINDOL5YL)SULFONYL)BENZOICACID
4(2(2NITROPHENYL)13DIOXOISOINDOL5YL)SULFONYLBENZOICACID
5746532
C1=CC=C(C(=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=1SC21H12N2O8Sc24191510914(32(3031)137512(6813)21(26)27)1116(15)20(25)22(19)17312418(17)23(28)29h111H(H2627)
MFCD01137182
O=C1c2cc(ccc2C(=O)N1c1ccccc1(N+)(=O)(O))S(=O)(=O)c1ccc(cc1)C(=O)O
STK038305
ZINC000009299681
ZINC9299681
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