Vitas-M small molecule compound
2-{[3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]amino}benzoic acid
Catalog ID
STK010048
SMILES O=C(Nc1ccccc1C(=O)O)CCN1C(=O)c2c(C1=O)cc(cc2)[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 C18H13N3O7 MW 383.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13N3O7/c22-15(19-14-4-2-1-3-12(14)18(25)26)7-8-20-16(23)11-6-5-10(21(27)28)9-13(11)17(20)24/h1-6,9H,7-8H2,(H,19,22)(H,25,26)InChIKey
CEAJZZGXKUABQC-UHFFFAOYSA-NSynonyms
2((3(5NITRO13DIOXO13DIHYDRO2HISOINDOL2YL)PROPANOYL)AMINO)BENZOICACID
2(3(5NITRO13DIOXO13DIHYDROISOINDOL2YL)PROPIONYLAMINO)BENZOICACID
2(3(5NITRO13DIOXOISOINDOL2YL)PROPANOYLAMINO)BENZOICACID
2(3(5nitro13dioxoisoindolin2yl)propanamido)benzoicacid
C1=CC=C(C(=C1)C(=O)O)NC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)(N+)(=O)(O)
InChI=1SC18H13N3O7c2215(1914421312(14)18(25)26)782016(23)116510(21(27)28)913(11)17(20)24h169H78H2(H1922)(H2526)
MFCD02018054
O=C(Nc1ccccc1C(=O)O)CCN1C(=O)c2c(C1=O)cc(cc2)(N+)(=O)(O)
STK010048
ZINC000002304624
ZINC2304624
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