Vitas-M small molecule compound

(2E)-N-(2-methyl-1-octanoyl-1,2,3,4-tetrahydroquinolin-4-yl)-3-(4-nitrophenyl)-N-phenylprop-2-enamide

Catalog ID
STK395160
SMILES CCCCCCCC(=O)N1C(C)CC(c2c1cccc2)N(c1ccccc1)C(=O)/C=C/c1ccc(cc1)[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 C33H37N3O4 MW 539.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H37N3O4/c1-3-4-5-6-10-17-32(37)34-25(2)24-31(29-15-11-12-16-30(29)34)35(27-13-8-7-9-14-27)33(38)23-20-26-18-21-28(22-19-26)36(39)40/h7-9,11-16,18-23,25,31H,3-6,10,17,24H2,1-2H3/b23-20+
InChIKey
LZJJHYYMFSRZPM-BSYVCWPDSA-N
Synonyms
351191-38-3
(2E)N(2methyl1octanoyl1234tetrahydroquinolin4yl)3(4nitrophenyl)Nphenylprop2enamide
(E)N(2methyl1octanoyl1234tetrahydroquinolin4yl)3(4nitrophenyl)Nphenylacrylamide
(E)N(2METHYL1OCTANOYL34DIHYDRO2HQUINOLIN4YL)3(4NITROPHENYL)NPHENYLPROP2ENAMIDE
351191383
CCCCCCCC(=O)N1C(C)CC(c2c1cccc2)N(c1ccccc1)C(=O)C=Cc1ccc(cc1)(N+)(=O)(O)
CCCCCCCC(=O)N1C(CC(C2=CC=CC=C21)N(C3=CC=CC=C3)C(=O)C=CC4=CC=C(C=C4)(N+)(=O)(O))C
InChI=1SC33H37N3O4c13456101732(37)3425(2)2431(291511121630(29)34)35(27138791427)33(38)232026182128(221926)36(39)40h79111618232531H36101724H212H3b2320+
MFCD01560502
ZINC000100165506
ZINC000100165513

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Available files

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