Vitas-M small molecule compound
N-(5-bromopyridin-2-yl)-4-{4-methoxy-3-[(4-methyl-2-nitrophenoxy)methyl]phenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Catalog ID
STL171836
SMILES COc1ccc(cc1COc1ccc(cc1[N+](=O)[O-])C)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)Nc1ccc(cn1)Br
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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 C31H29BrN4O6 MW 633.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29BrN4O6/c1-17-7-10-26(23(13-17)36(39)40)42-16-20-14-19(8-11-25(20)41-3)29-28(31(38)35-27-12-9-21(32)15-33-27)18(2)34-22-5-4-6-24(37)30(22)29/h7-15,29,34H,4-6,16H2,1-3H3,(H,33,35,38)InChIKey
ANWCJBLXEARRES-UHFFFAOYSA-NSynonyms
445022-06-0445022060
CC1=CC(=C(C=C1)OCC2=C(C=CC(=C2)C3C4=C(CCCC4=O)NC(=C3C(=O)NC5=NC=C(C=C5)Br)C)OC)(N+)(=O)(O)
COc1ccc(cc1COc1ccc(cc1(N+)(=O)(O))C)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)Nc1ccc(cn1)Br
InChI=1SC31H29BrN4O6c11771026(23(1317)36(39)40)4216201419(81125(20)413)2928(31(38)352712921(32)153327)18(2)342254624(37)30(22)29h7152934H4616H213H3(H333538)
MFCD03073289
N(5bromopyridin2yl)4(4methoxy3((4methyl2nitrophenoxy)methyl)phenyl)2methyl5oxo145678hexahydroquinoline3carboxamide
N(5bromopyridin2yl)4(4methoxy3((4methyl2nitrophenoxy)methyl)phenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxamide
ZINC000008440511
ZINC000008440517
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