Vitas-M small molecule compound

tert-butyl 8-(3-methoxybenzyl)-4-oxo-8-azabicyclo[3.2.1]oct-2-ene-6-carboxylate

Catalog ID
STK686555
SMILES COc1cccc(c1)CN1C2C=CC(=O)C1C(C2)C(=O)OC(C)(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 C20H25NO4 MW 343.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25NO4/c1-20(2,3)25-19(23)16-11-14-8-9-17(22)18(16)21(14)12-13-6-5-7-15(10-13)24-4/h5-10,14,16,18H,11-12H2,1-4H3
InChIKey
XHKRZZKPVOIIPD-UHFFFAOYSA-N
Synonyms

8AZABICYCLO(321)OCT2ENE6CARBOXYLICACID8((3METHOXYPHENYL)METHYL)4OXO11DIMETHYLETHYLESTER
BICYCLO(321)OCT2ENE6CARBOXYLICACID8(3METHOXYBENZYL)4OXO8AZATERTBUTYLESTER
CC(C)(C)OC(=O)C1CC2C=CC(=O)C1N2CC3=CC(=CC=C3)OC
InChI=1SC20H25NO4c120(23)2519(23)1611148917(22)18(16)21(14)121365715(1013)244h510141618H1112H214H3
MFCD09038708
TERTBUTYL8((3METHOXYPHENYL)METHYL)4OXO8AZABICYCLO(321)OCT2ENE6CARBOXYLATE
tertbutyl8(3methoxybenzyl)4oxo8azabicyclo(321)oct2ene6carboxylate
ZINC000100019343
ZINC000100019348

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Available files

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