Vitas-M small molecule compound

2,2,4-trimethyl-1-[(2-nitrophenyl)carbonyl]-1,2-dihydroquinolin-6-yl 4-chloro-3-nitrobenzoate

Catalog ID
STK789660
SMILES CC1=CC(C)(C)N(c2c1cc(cc2)OC(=O)c1ccc(c(c1)[N+](=O)[O-])Cl)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 C26H20ClN3O7 MW 521.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20ClN3O7/c1-15-14-26(2,3)28(24(31)18-6-4-5-7-22(18)29(33)34)21-11-9-17(13-19(15)21)37-25(32)16-8-10-20(27)23(12-16)30(35)36/h4-14H,1-3H3
InChIKey
HQJIXVXSERXLHY-UHFFFAOYSA-N
Synonyms
336176-17-1
(224TRIMETHYL1(2NITROBENZOYL)QUINOLIN6YL)4CHLORO3NITROBENZOATE
224trimethyl1((2nitrophenyl)carbonyl)12dihydroquinolin6yl4chloro3nitrobenzoate
224trimethyl1(2nitrobenzoyl)12dihydroquinolin6yl4chloro3nitrobenzoate
336176171
CC1=CC(C)(C)N(c2c1cc(cc2)OC(=O)c1ccc(c(c1)(N+)(=O)(O))Cl)C(=O)c1ccccc1(N+)(=O)(O)
CC1=CC(N(C2=C1C=C(C=C2)OC(=O)C3=CC(=C(C=C3)Cl)(N+)(=O)(O))C(=O)C4=CC=CC=C4(N+)(=O)(O))(C)C
InChI=1SC26H20ClN3O7c1151426(23)28(24(31)18645722(18)29(33)34)2111917(1319(15)21)3725(32)1681020(27)23(1216)30(35)36h414H13H3
MFCD01564500
ZINC000006461745
ZINC6461745

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Available files

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