Vitas-M small molecule compound
3-amino-7-nitro-4-(phenylcarbonyl)isoquinolin-1(2H)-one
Catalog ID
STK786111
SMILES O=C(c1c(N)[nH]c(=O)c2c1ccc(c2)[N+](=O)[O-])c1ccccc1
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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 C16H11N3O4 MW 309.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11N3O4/c17-15-13(14(20)9-4-2-1-3-5-9)11-7-6-10(19(22)23)8-12(11)16(21)18-15/h1-8H,(H3,17,18,21)InChIKey
KCEJIGIYGDLMMQ-UHFFFAOYSA-NSynonyms
3AMINO4BENZOYL7NITRO2HISOQUINOLIN1ONE
3amino7nitro4(phenylcarbonyl)isoquinolin1(2H)one
C1=CC=C(C=C1)C(=O)C2=C(NC(=O)C3=C2C=CC(=C3)(N+)(=O)(O))N
InChI=1SC16H11N3O4c171513(14(20)9421359)117610(19(22)23)812(11)16(21)1815h18H(H3171821)
MFCD08142617
O=C(c1c(N)(nH)c(=O)c2c1ccc(c2)(N+)(=O)(O))c1ccccc1
ZINC000006668442
ZINC06668442
ZINC6668442
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