Vitas-M small molecule compound

ethyl 4-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetyl]amino}benzoate

Catalog ID
STK275055
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CN1C(=O)C2C(C1=O)C1CC2C=C1

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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 C20H20N2O5 MW 368.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O5/c1-2-27-20(26)11-5-7-14(8-6-11)21-15(23)10-22-18(24)16-12-3-4-13(9-12)17(16)19(22)25/h3-8,12-13,16-17H,2,9-10H2,1H3,(H,21,23)
InChIKey
QPQISXCLJNYQEN-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C3C4CC(C3C2=O)C=C4
ETHYL4((((3AR4S7S7AS)13DIOXO133A477AHEXAHYDRO2H47METHANOISOINDOL2YL)ACETYL)AMINO)BENZOATE
ethyl4(((13dioxo133a477ahexahydro2H47methanoisoindol2yl)acetyl)amino)benzoate
InChI=1SC20H20N2O5c122720(26)115714(8611)2115(23)102218(24)16123413(912)17(16)19(22)25h3812131617H2910H21H3(H2123)
MFCD03186756
ZINC000100394099
ZINC000101463874

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Available files

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