Vitas-M small molecule compound
2-amino-1-(5-bromopyridin-2-yl)-4-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STL174353
SMILES N#CC1=C(N)N(c2ccc(cn2)Br)C2=C(C1c1ccc(c(c1)COc1ccc(c(c1)C)[N+](=O)[O-])OC)C(=O)CC(C2)(C)C
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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 C32H30BrN5O5 MW 644.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30BrN5O5/c1-18-11-22(7-8-24(18)38(40)41)43-17-20-12-19(5-9-27(20)42-4)29-23(15-34)31(35)37(28-10-6-21(33)16-36-28)25-13-32(2,3)14-26(39)30(25)29/h5-12,16,29H,13-14,17,35H2,1-4H3InChIKey
JGHPJONXRHPZHG-UHFFFAOYSA-NSynonyms
444931-88-82amino1(5bromopyridin2yl)4(4methoxy3((3methyl4nitrophenoxy)methyl)phenyl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2AMINO1(5BROMOPYRIDIN2YL)4(4METHOXY3((3METHYL4NITROPHENOXY)METHYL)PHENYL)77DIMETHYL5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
444931888
CC1=C(C=CC(=C1)OCC2=C(C=CC(=C2)C3C(=C(N(C4=C3C(=O)CC(C4)(C)C)C5=NC=C(C=C5)Br)N)C#N)OC)(N+)(=O)(O)
InChI=1SC32H30BrN5O5c1181122(7824(18)38(40)41)4317201219(5927(20)424)2923(1534)31(35)37(2810621(33)163628)251332(23)1426(39)30(25)29h5121629H13141735H214H3
MFCD02606720
N#CC1=C(N)N(c2ccc(cn2)Br)C2=C(C1c1ccc(c(c1)COc1ccc(c(c1)C)(N+)(=O)(O))OC)C(=O)CC(C2)(C)C
ZINC000008456120
ZINC000008456121
Check stock
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Check stock on Vitas-MAvailable files
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