Vitas-M small molecule compound

N-[2-methyl-1-(2-methylpropanoyl)-1,2,3,4-tetrahydroquinolin-4-yl]-3-nitro-N-phenylbenzamide

Catalog ID
STL024539
SMILES CC1CC(c2c(N1C(=O)C(C)C)cccc2)N(C(=O)c1cccc(c1)[N+](=O)[O-])c1ccccc1

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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 C27H27N3O4 MW 457.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O4/c1-18(2)26(31)28-19(3)16-25(23-14-7-8-15-24(23)28)29(21-11-5-4-6-12-21)27(32)20-10-9-13-22(17-20)30(33)34/h4-15,17-19,25H,16H2,1-3H3
InChIKey
JOELXHPRDWUPDY-UHFFFAOYSA-N
Synonyms
372157-37-4
372157374
CC1CC(C2=CC=CC=C2N1C(=O)C(C)C)N(C3=CC=CC=C3)C(=O)C4=CC(=CC=C4)(N+)(=O)(O)
CC1CC(c2c(N1C(=O)C(C)C)cccc2)N(C(=O)c1cccc(c1)(N+)(=O)(O))c1ccccc1
InChI=1SC27H27N3O4c118(2)26(31)2819(3)1625(2314781524(23)28)29(21115461221)27(32)201091322(1720)30(33)34h415171925H16H213H3
MFCD01079451
N(1isobutyryl2methyl1234tetrahydroquinolin4yl)3nitroNphenylbenzamide
N(2methyl1(2methylpropanoyl)1234tetrahydroquinolin4yl)3nitroNphenylbenzamide
N(2METHYL1(2METHYLPROPANOYL)34DIHYDRO2HQUINOLIN4YL)3NITRONPHENYLBENZAMIDE
ZINC000000830045
ZINC000000830048

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Available files

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