Vitas-M small molecule compound
3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenyl 3-nitrobenzoate
Catalog ID
STK275047
SMILES O=C1N(c2cccc(c2)OC(=O)c2cccc(c2)[N+](=O)[O-])C(=O)C2C1C1C=CC2C1
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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 C22H16N2O6 MW 404.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16N2O6/c25-20-18-12-7-8-13(9-12)19(18)21(26)23(20)15-4-2-6-17(11-15)30-22(27)14-3-1-5-16(10-14)24(28)29/h1-8,10-13,18-19H,9H2InChIKey
JTDISTKAIXMLIC-UHFFFAOYSA-NSynonyms
3(13dioxo133a477ahexahydro2H47methanoisoindol2yl)phenyl3nitrobenzoate
C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC(=CC=C4)OC(=O)C5=CC(=CC=C5)(N+)(=O)(O)
InChI=1SC22H16N2O6c252018127813(912)19(18)21(26)23(20)1542617(1115)3022(27)1431516(1014)24(28)29h1810131819H9H2
MFCD03186827
O=C1N(c2cccc(c2)OC(=O)c2cccc(c2)(N+)(=O)(O))C(=O)C2C1C1C=CC2C1
ZINC000101321487
ZINC000245227571
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