Vitas-M small molecule compound
2-nitro-4-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoic acid
Catalog ID
STK368976
SMILES O=C1c2ccc(cc2C(=O)N1c1ccc(c(c1)[N+](=O)[O-])C(=O)O)Oc1ccc(cc1)[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 C21H11N3O9 MW 449.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H11N3O9/c25-19-15-8-6-14(33-13-4-1-11(2-5-13)23(29)30)10-17(15)20(26)22(19)12-3-7-16(21(27)28)18(9-12)24(31)32/h1-10H,(H,27,28)InChIKey
DOLJMYMGCAPLGE-UHFFFAOYSA-NSynonyms
2nitro4(5(4nitrophenoxy)13dioxo13dihydro2Hisoindol2yl)benzoicacid
2NITRO4(5(4NITROPHENOXY)13DIOXOISOINDOL2YL)BENZOICACID
C1=CC(=CC=C1(N+)(=O)(O))OC2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC(=C(C=C4)C(=O)O)(N+)(=O)(O)
InChI=1SC21H11N3O9c2519158614(33134111(2513)23(29)30)1017(15)20(26)22(19)123716(21(27)28)18(912)24(31)32h110H(H2728)
MFCD00320891
O=C1c2ccc(cc2C(=O)N1c1ccc(c(c1)(N+)(=O)(O))C(=O)O)Oc1ccc(cc1)(N+)(=O)(O)
ZINC000003661883
ZINC3661883
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