Vitas-M small molecule compound
2-(4-methyl-3-nitrophenyl)-2-oxoethyl (1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)acetate
Catalog ID
STK252950
SMILES O=C(CN1C(=O)C2C(C1=O)CC=CC2)OCC(=O)c1ccc(c(c1)[N+](=O)[O-])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 C19H18N2O7 MW 386.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N2O7/c1-11-6-7-12(8-15(11)21(26)27)16(22)10-28-17(23)9-20-18(24)13-4-2-3-5-14(13)19(20)25/h2-3,6-8,13-14H,4-5,9-10H2,1H3InChIKey
CXQJULGCQBTONZ-UHFFFAOYSA-NSynonyms
(2(4METHYL3NITROPHENYL)2OXIDANYLIDENEETHYL)2(13BIS(OXIDANYLIDENE)3A477ATETRAHYDROISOINDOL2YL)ETHANOATE
(2(4METHYL3NITROPHENYL)2OXOETHYL)2(13DIOXO3A477ATETRAHYDROISOINDOL2YL)ACETATE
2(13DIKETO3A477ATETRAHYDROISOINDOL2YL)ACETICACID(2KETO2(4METHYL3NITROPHENYL)ETHYL)ESTER
2(13DIOXO3A477ATETRAHYDROISOINDOL2YL)ACETICACID(2(4METHYL3NITROPHENYL)2OXOETHYL)ESTER
2(4methyl3nitrophenyl)2oxoethyl(13dioxo133a477ahexahydro2Hisoindol2yl)acetate
CC1=C(C=C(C=C1)C(=O)COC(=O)CN2C(=O)C3CC=CCC3C2=O)(N+)(=O)(O)
InChI=1SC19H18N2O7c1116712(815(11)21(26)27)16(22)102817(23)92018(24)13423514(13)19(20)25h23681314H45910H21H3
MFCD02318451
O=C(CN1C(=O)C2C(C1=O)CC=CC2)OCC(=O)c1ccc(c(c1)(N+)(=O)(O))C
ZINC000013845879
ZINC000100535285
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.