Vitas-M small molecule compound

3,3'-dimethylbiphenyl-4-yl 3-nitrobenzoate

Catalog ID
STK388672
SMILES Cc1cccc(c1)c1ccc(c(c1)C)OC(=O)c1cccc(c1)[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 C21H17NO4 MW 347.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17NO4/c1-14-5-3-6-16(11-14)17-9-10-20(15(2)12-17)26-21(23)18-7-4-8-19(13-18)22(24)25/h3-13H,1-2H3
InChIKey
HQTYNRDQMGXJBX-UHFFFAOYSA-N
Synonyms
301657-34-1
(2METHYL4(3METHYLPHENYL)PHENYL)3NITROBENZOATE
2METHYL4(3METHYLPHENYL)PHENYL3NITROBENZOATE
301657341
33dimethylbiphenyl4yl3nitrobenzoate
3NITROBENZOICACID33DIMETHYLBIPHENYL4YLESTER
CC1=CC=CC(=C1)C2=CC(=C(C=C2)OC(=O)C3=CC(=CC=C3)(N+)(=O)(O))C
Cc1cccc(c1)c1ccc(c(c1)C)OC(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC21H17NO4c11453616(1114)1791020(15(2)1217)2621(23)1874819(1318)22(24)25h313H12H3
MFCD00371717
ZINC000000285386
ZINC00285386
ZINC285386

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Available files

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