Vitas-M small molecule compound

1-[2,2,4-trimethyl-6-nitro-4-(4-nitrophenyl)-3,4-dihydroquinolin-1(2H)-yl]ethanone

Catalog ID
STK870734
SMILES [O-][N+](=O)c1ccc(cc1)C1(C)CC(C)(C)N(c2c1cc(cc2)[N+](=O)[O-])C(=O)C

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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 C20H21N3O5 MW 383.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O5/c1-13(24)21-18-10-9-16(23(27)28)11-17(18)20(4,12-19(21,2)3)14-5-7-15(8-6-14)22(25)26/h5-11H,12H2,1-4H3
InChIKey
KLBIXOJBCZEUBC-UHFFFAOYSA-N
Synonyms
125258-81-3
(O)(N+)(=O)c1ccc(cc1)C1(C)CC(C)(C)N(c2c1cc(cc2)(N+)(=O)(O))C(=O)C
1(224trimethyl6nitro4(4nitrophenyl)34dihydroquinolin1(2H)yl)ethanone
1(224TRIMETHYL6NITRO4(4NITROPHENYL)3HQUINOLIN1YL)ETHANONE
125258813
CC(=O)N1C2=C(C=C(C=C2)(N+)(=O)(O))C(CC1(C)C)(C)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC20H21N3O5c113(24)211810916(23(27)28)1117(18)20(41219(212)3)145715(8614)22(25)26h511H12H214H3
MFCD00623491
ZINC000004729010
ZINC000004729011

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Available files

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