Vitas-M small molecule compound
ethyl 3-(morpholin-4-yl)-7-nitro-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Catalog ID
STK691432
SMILES CCOC(=O)c1c([nH]c(=O)c2c1ccc(c2)[N+](=O)[O-])N1CCOCC1
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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 C16H17N3O6 MW 347.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O6/c1-2-25-16(21)13-11-4-3-10(19(22)23)9-12(11)15(20)17-14(13)18-5-7-24-8-6-18/h3-4,9H,2,5-8H2,1H3,(H,17,20)InChIKey
UMYUQDRNKIEQSL-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=O)C2=C1C=CC(=C2)(N+)(=O)(O))N3CCOCC3
CCOC(=O)c1c((nH)c(=O)c2c1ccc(c2)(N+)(=O)(O))N1CCOCC1
ethyl3(morpholin4yl)7nitro1oxo12dihydroisoquinoline4carboxylate
ethyl3morpholin4yl7nitro1oxo2Hisoquinoline4carboxylate
ETHYL3MORPHOLIN4YL7NITRO1OXO2HYDROISOQUINOLINE4CARBOXYLATE
InChI=1SC16H17N3O6c122516(21)13114310(19(22)23)912(11)15(20)1714(13)1857248618h349H258H21H3(H1720)
MFCD09064453
ZINC000012410660
ZINC12410660
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