Vitas-M small molecule compound

3-amino-2-(4-methoxyphenyl)-7-nitro-1-oxo-1,2-dihydroisoquinoline-4-carbonitrile

Catalog ID
STL321833
SMILES N#Cc1c(N)n(c2ccc(cc2)OC)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 C17H12N4O4 MW 336.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12N4O4/c1-25-12-5-2-10(3-6-12)20-16(19)15(9-18)13-7-4-11(21(23)24)8-14(13)17(20)22/h2-8H,19H2,1H3
InChIKey
SRFPVHYAPYBZLI-UHFFFAOYSA-N
Synonyms
130651-67-1
130651671
3AMINO1KETO2(4METHOXYPHENYL)7NITROISOQUINOLINE4CARBONITRILE
3amino2(4methoxyphenyl)7nitro1oxo12dihydroisoquinoline4carbonitrile
3AMINO2(4METHOXYPHENYL)7NITRO1OXO4ISOQUINOLINECARBONITRILE
3AMINO2(4METHOXYPHENYL)7NITRO1OXOISOQUINOLINE4CARBONITRILE
3AZANYL2(4METHOXYPHENYL)7NITRO1OXIDANYLIDENEISOQUINOLINE4CARBONITRILE
COC1=CC=C(C=C1)N2C(=C(C3=C(C2=O)C=C(C=C3)(N+)(=O)(O))C#N)N
InChI=1SC17H12N4O4c125125210(3612)2016(19)15(918)137411(21(23)24)814(13)17(20)22h28H19H21H3
MFCD01088689
N#Cc1c(N)n(c2ccc(cc2)OC)c(=O)c2c1ccc(c2)(N+)(=O)(O)
ZINC000000494075
ZINC00494075
ZINC494075

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Available files

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