Vitas-M small molecule compound

3-benzyl-1-methyl-4,6-dinitro-1H-indole

Catalog ID
STK784613
SMILES [O-][N+](=O)c1cc(cc2c1c(Cc1ccccc1)cn2C)[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 C16H13N3O4 MW 311.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N3O4/c1-17-10-12(7-11-5-3-2-4-6-11)16-14(17)8-13(18(20)21)9-15(16)19(22)23/h2-6,8-10H,7H2,1H3
InChIKey
COWFYFURBGDEIN-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1cc(cc2c1c(Cc1ccccc1)cn2C)(N+)(=O)(O)
1METHYL46DINITRO3BENZYLINDOLE
3benzyl1methyl46dinitro1Hindole
3BENZYL1METHYL46DINITROINDOLE
CN1C=C(C2=C(C=C(C=C21)(N+)(=O)(O))(N+)(=O)(O))CC3=CC=CC=C3
InChI=1SC16H13N3O4c1171012(7115324611)1614(17)813(18(20)21)915(16)19(22)23h26810H7H21H3
MFCD07022706
ZINC000004709205
ZINC04709205
ZINC4709205

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Available files

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