Vitas-M small molecule compound
4-[5-(3-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]butanoic acid
Catalog ID
STK266456
SMILES OC(=O)CCCN1C(=O)c2c(C1=O)cc(cc2)Oc1cccc(c1)[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 C18H14N2O7 MW 370.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14N2O7/c21-16(22)5-2-8-19-17(23)14-7-6-13(10-15(14)18(19)24)27-12-4-1-3-11(9-12)20(25)26/h1,3-4,6-7,9-10H,2,5,8H2,(H,21,22)InChIKey
AUPJYDYZHVQFBI-UHFFFAOYSA-NSynonyms
4(5(3nitrophenoxy)13dioxo13dihydro2Hisoindol2yl)butanoicacid
4(5(3NITROPHENOXY)13DIOXOISOINDOL2YL)BUTANOICACID
C1=CC(=CC(=C1)OC2=CC3=C(C=C2)C(=O)N(C3=O)CCCC(=O)O)(N+)(=O)(O)
InChI=1SC18H14N2O7c2116(22)5281917(23)147613(1015(14)18(19)24)271241311(912)20(25)26h13467910H258H2(H2122)
MFCD03899307
OC(=O)CCCN1C(=O)c2c(C1=O)cc(cc2)Oc1cccc(c1)(N+)(=O)(O)
ZINC000005065382
ZINC5065382
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