Vitas-M small molecule compound

ethyl 3-amino-7-nitro-1-oxo-1,2-dihydroisoquinoline-4-carboxylate

Catalog ID
STK786140
SMILES CCOC(=O)c1c(N)[nH]c(=O)c2c1ccc(c2)[N+](=O)[O-]

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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 C12H11N3O5 MW 277.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H11N3O5/c1-2-20-12(17)9-7-4-3-6(15(18)19)5-8(7)11(16)14-10(9)13/h3-5H,2H2,1H3,(H3,13,14,16)
InChIKey
VHORFWSRYCBYDD-UHFFFAOYSA-N
Synonyms
890095-10-0
890095100
CCOC(=O)C1=C(NC(=O)C2=C1C=CC(=C2)(N+)(=O)(O))N
CCOC(=O)c1c(N)(nH)c(=O)c2c1ccc(c2)(N+)(=O)(O)
ETHYL3AMINO7NITRO1OXO12DIHYDRO4ISOQUINOLINECARBOXYLATE
ethyl3amino7nitro1oxo12dihydroisoquinoline4carboxylate
ETHYL3AMINO7NITRO1OXO2HISOQUINOLINE4CARBOXYLATE
ETHYL3AMINO7NITRO1OXO2HYDROISOQUINOLINE4CARBOXYLATE
InChI=1SC12H11N3O5c122012(17)97436(15(18)19)58(7)11(16)1410(9)13h35H2H21H3(H3131416)
MFCD08061134
ZINC000006658017
ZINC06658017
ZINC6658017

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Available files

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