Vitas-M small molecule compound
2-amino-4-{4-methoxy-3-[(4-nitrophenoxy)methyl]phenyl}-5-oxo-1-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STL174532
SMILES N#CC1=C(N)N(c2ccccc2)C2=C(C1c1ccc(c(c1)COc1ccc(cc1)[N+](=O)[O-])OC)C(=O)CCC2
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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 C30H26N4O5 MW 522.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26N4O5/c1-38-27-15-10-19(16-20(27)18-39-23-13-11-22(12-14-23)34(36)37)28-24(17-31)30(32)33(21-6-3-2-4-7-21)25-8-5-9-26(35)29(25)28/h2-4,6-7,10-16,28H,5,8-9,18,32H2,1H3InChIKey
FHMIUHRJIUEXLA-UHFFFAOYSA-NSynonyms
444926-31-22amino4(4methoxy3((4nitrophenoxy)methyl)phenyl)5oxo1phenyl145678hexahydroquinoline3carbonitrile
2amino4(4methoxy3((4nitrophenoxy)methyl)phenyl)5oxo1phenyl4678tetrahydroquinoline3carbonitrile
444926312
COC1=C(C=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=CC=C4)N)C#N)COC5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC30H26N4O5c13827151019(1620(27)183923131122(121423)34(36)37)2824(1731)30(32)33(216324721)2585926(35)29(25)28h2467101628H5891832H21H3
MFCD02606324
N#CC1=C(N)N(c2ccccc2)C2=C(C1c1ccc(c(c1)COc1ccc(cc1)(N+)(=O)(O))OC)C(=O)CCC2
ZINC000000667398
ZINC000000667401
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