Vitas-M small molecule compound
3-nitro-4-(1-oxo-4-phenylphthalazin-2(1H)-yl)benzonitrile
Catalog ID
STK326559
SMILES N#Cc1ccc(c(c1)[N+](=O)[O-])n1nc(c2ccccc2)c2c(c1=O)cccc2
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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 C21H12N4O3 MW 368.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H12N4O3/c22-13-14-10-11-18(19(12-14)25(27)28)24-21(26)17-9-5-4-8-16(17)20(23-24)15-6-2-1-3-7-15/h1-12HInChIKey
HUGGYSDDNQPSTQ-UHFFFAOYSA-NSynonyms
355435-65-3355435653
3nitro4(1oxo4phenylphthalazin2(1H)yl)benzonitrile
3NITRO4(1OXO4PHENYLPHTHALAZIN2YL)BENZONITRILE
C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=C(C=C(C=C4)C#N)(N+)(=O)(O)
InChI=1SC21H12N4O3c221314101118(19(1214)25(27)28)2421(26)17954816(17)20(2324)156213715h112H
MFCD02376077
N#Cc1ccc(c(c1)(N+)(=O)(O))n1nc(c2ccccc2)c2c(c1=O)cccc2
ZINC000001100055
ZINC01100055
ZINC1100055
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