Vitas-M small molecule compound

[4-(3,5-dinitrophenyl)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl](phenyl)methanone

Catalog ID
STK789436
SMILES [O-][N+](=O)c1cc(cc(c1)C1(C)CC(C)(C)N(c2c1cccc2)C(=O)c1ccccc1)[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 C25H23N3O5 MW 445.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O5/c1-24(2)16-25(3,18-13-19(27(30)31)15-20(14-18)28(32)33)21-11-7-8-12-22(21)26(24)23(29)17-9-5-4-6-10-17/h4-15H,16H2,1-3H3
InChIKey
CRJJBNGHCQVOFP-UHFFFAOYSA-N
Synonyms
332019-23-5
(4(35DINITROPHENYL)224TRIMETHYL34DIHYDRO2HQUINOLIN1YL)PHENYLMETHANONE
(4(35dinitrophenyl)224trimethyl34dihydroquinolin1(2H)yl)(phenyl)methanone
(4(35DINITROPHENYL)224TRIMETHYL3HQUINOLIN1YL)PHENYLMETHANONE
(O)(N+)(=O)c1cc(cc(c1)C1(C)CC(C)(C)N(c2c1cccc2)C(=O)c1ccccc1)(N+)(=O)(O)
332019235
CC1(CC(C2=CC=CC=C2N1C(=O)C3=CC=CC=C3)(C)C4=CC(=CC(=C4)(N+)(=O)(O))(N+)(=O)(O))C
InChI=1SC25H23N3O5c124(2)1625(3181319(27(30)31)1520(1418)28(32)33)2111781222(21)26(24)23(29)1795461017h415H16H213H3
MFCD01171327
ZINC000002260834
ZINC000002260835

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Available files

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