Vitas-M small molecule compound

2-(4-methyl-3-nitrophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-3-methylbutanoate

Catalog ID
STK252763
SMILES CC(C(N1C(=O)C2C(C1=O)C1CC2C=C1)C(=O)OCC(=O)c1ccc(c(c1)[N+](=O)[O-])C)C

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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 C23H24N2O7 MW 440.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N2O7/c1-11(2)20(24-21(27)18-14-6-7-15(8-14)19(18)22(24)28)23(29)32-10-17(26)13-5-4-12(3)16(9-13)25(30)31/h4-7,9,11,14-15,18-20H,8,10H2,1-3H3
InChIKey
IZGZOOROLFHLJL-UHFFFAOYSA-N
Synonyms

2(4METHYL3NITROPHENYL)2OXOETHYL2(13DIOXO133A477AHEXAHYDRO2H47METHANOISOINDOL2YL)3METHYLBUTANOATE
CC(C(N1C(=O)C2C(C1=O)C1CC2C=C1)C(=O)OCC(=O)c1ccc(c(c1)(N+)(=O)(O))C)C
CC1=C(C=C(C=C1)C(=O)COC(=O)C(C(C)C)N2C(=O)C3C4CC(C3C2=O)C=C4)(N+)(=O)(O)
InChI=1SC23H24N2O7c111(2)20(2421(27)18146715(814)19(18)22(24)28)23(29)321017(26)135412(3)16(913)25(30)31h4791114151820H810H213H3
MFCD02318459
ZINC000100794328
ZINC000239321973

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Available files

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