Vitas-M small molecule compound

2-(3-nitrophenyl)-2-oxoethyl 3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)propanoate

Catalog ID
STK269035
SMILES O=C(OCC(=O)c1cccc(c1)[N+](=O)[O-])CCN1C(=O)C2C(C1=O)C1CC2CC1

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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 C20H20N2O7 MW 400.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O7/c23-15(11-2-1-3-14(9-11)22(27)28)10-29-16(24)6-7-21-19(25)17-12-4-5-13(8-12)18(17)20(21)26/h1-3,9,12-13,17-18H,4-8,10H2
InChIKey
ROJRGBOTBCBWAG-UHFFFAOYSA-N
Synonyms

2(3NITROPHENYL)2OXOETHYL3((3AR4S7S7AS)13DIOXOOCTAHYDRO2H47METHANOISOINDOL2YL)PROPANOATE
2(3nitrophenyl)2oxoethyl3(13dioxooctahydro2H47methanoisoindol2yl)propanoate
C1CC2CC1C3C2C(=O)N(C3=O)CCC(=O)OCC(=O)C4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC20H20N2O7c2315(1121314(911)22(27)28)102916(24)672119(25)17124513(812)18(17)20(21)26h13912131718H4810H2
MFCD01798877
O=C(OCC(=O)c1cccc(c1)(N+)(=O)(O))CCN1C(=O)C2C(C1=O)C1CC2CC1
ZINC000101324127
ZINC000101888518

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Available files

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