Vitas-M small molecule compound
phenyl 2-(4,5-dicyano-2-nitrophenoxy)benzoate
Catalog ID
STK328273
SMILES N#Cc1cc(Oc2ccccc2C(=O)Oc2ccccc2)c(cc1C#N)[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 C21H11N3O5 MW 385.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H11N3O5/c22-12-14-10-18(24(26)27)20(11-15(14)13-23)29-19-9-5-4-8-17(19)21(25)28-16-6-2-1-3-7-16/h1-11HInChIKey
NDNCKKYDQRRLOX-UHFFFAOYSA-NSynonyms
551919-03-0551919030
C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2OC3=C(C=C(C(=C3)C#N)C#N)(N+)(=O)(O)
InChI=1SC21H11N3O5c2212141018(24(26)27)20(1115(14)1323)2919954817(19)21(25)28166213716h111H
MFCD02040988
N#Cc1cc(Oc2ccccc2C(=O)Oc2ccccc2)c(cc1C#N)(N+)(=O)(O)
PHENYL2(34DICYANO6NITROPHENOXY)BENZOATE
PHENYL2(45DICYANO2NITROPHENOXY)BENZOATE
ZINC000001313261
ZINC01313261
ZINC1313261
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