Vitas-M small molecule compound

(5-hydroxy-2-methyl-4,6-dinitro-1-benzofuran-3-yl)(phenyl)methanone

Catalog ID
STK700136
SMILES Cc1oc2c(c1C(=O)c1ccccc1)c([N+](=O)[O-])c(c(c2)[N+](=O)[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 C16H10N2O7 MW 342.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H10N2O7/c1-8-12(15(19)9-5-3-2-4-6-9)13-11(25-8)7-10(17(21)22)16(20)14(13)18(23)24/h2-7,20H,1H3
InChIKey
CGLBEFKTZQABFS-UHFFFAOYSA-N
Synonyms
370872-63-2
(5hydroxy2methyl46dinitro1benzofuran3yl)(phenyl)methanone
(5HYDROXY2METHYL46DINITRO1BENZOFURAN3YL)PHENYLMETHANONE
(5hydroxy2methyl46dinitrobenzofuran3yl)(phenyl)methanone
370872632
CC1=C(C2=C(O1)C=C(C(=C2(N+)(=O)(O))O)(N+)(=O)(O))C(=O)C3=CC=CC=C3
Cc1oc2c(c1C(=O)c1ccccc1)c((N+)(=O)(O))c(c(c2)(N+)(=O)(O))O
InChI=1SC16H10N2O7c1812(15(19)9532469)1311(258)710(17(21)22)16(20)14(13)18(23)24h2720H1H3
MFCD01454259
ZINC000013509828
ZINC13509828

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Available files

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