Vitas-M small molecule compound

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

Catalog ID
STK274759
SMILES O=C1N(c2cccc(c2)C(=O)Oc2ccc(cc2)[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/c25-20-18-12-4-5-13(10-12)19(18)21(26)23(20)16-3-1-2-14(11-16)22(27)30-17-8-6-15(7-9-17)24(28)29/h1-9,11-13,18-19H,10H2
InChIKey
PVCJXCAVPAEXEE-UHFFFAOYSA-N
Synonyms

4NITROPHENYL3((3AR4S7S7AS)13DIOXO133A477AHEXAHYDRO2H47METHANOISOINDOL2YL)BENZOATE
4nitrophenyl3(13dioxo133a477ahexahydro2H47methanoisoindol2yl)benzoate
C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC=CC(=C4)C(=O)OC5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC22H16N2O6c252018124513(1012)19(18)21(26)23(20)1631214(1116)22(27)30178615(7917)24(28)29h1911131819H10H2
MFCD03165135
O=C1N(c2cccc(c2)C(=O)Oc2ccc(cc2)(N+)(=O)(O))C(=O)C2C1C1C=CC2C1
ZINC000100918767
ZINC000239174348

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Available files

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