Vitas-M small molecule compound

(2,2,2',2',4,4'-hexamethyl-1,2,3,4-tetrahydro-4,6'-biquinolin-1'(2'H)-yl)(4-nitrophenyl)methanone

Catalog ID
STK528962
SMILES CC1=CC(C)(C)N(c2c1cc(cc2)C1(C)CC(C)(C)Nc2c1cccc2)C(=O)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 C31H33N3O3 MW 495.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33N3O3/c1-20-18-30(4,5)33(28(35)21-11-14-23(15-12-21)34(36)37)27-16-13-22(17-24(20)27)31(6)19-29(2,3)32-26-10-8-7-9-25(26)31/h7-18,32H,19H2,1-6H3
InChIKey
PPTLQOQXJQPORK-UHFFFAOYSA-N
Synonyms
120109-48-0
(222244hexamethyl1234tetrahydro(46biquinolin)1(2H)yl)(4nitrophenyl)methanone
(222244hexamethyl1234tetrahydro46biquinolin1(2H)yl)(4nitrophenyl)methanone
(4NITROPHENYL)(224TRIMETHYL6(224TRIMETHYL13DIHYDROQUINOLIN4YL)QUINOLIN1YL)METHANONE
120109480
CC1=CC(C)(C)N(c2c1cc(cc2)C1(C)CC(C)(C)Nc2c1cccc2)C(=O)c1ccc(cc1)(N+)(=O)(O)
CC1=CC(N(C2=C1C=C(C=C2)C3(CC(NC4=CC=CC=C43)(C)C)C)C(=O)C5=CC=C(C=C5)(N+)(=O)(O))(C)C
InChI=1SC31H33N3O3c1201830(45)33(28(35)21111423(151221)34(36)37)27161322(1724(20)27)31(6)1929(23)32261087925(26)31h71832H19H216H3
MFCD00627198
ZINC000001867599
ZINC000001867600

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.