Vitas-M small molecule compound
2-amino-1-(4-bromophenyl)-4-{4-methoxy-3-[(2-nitrophenoxy)methyl]phenyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STL174252
SMILES N#CC1=C(N)N(c2ccc(cc2)Br)C2=C(C1c1ccc(c(c1)COc1ccccc1[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 C30H25BrN4O5 MW 601.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25BrN4O5/c1-39-26-14-9-18(15-19(26)17-40-27-8-3-2-5-23(27)35(37)38)28-22(16-32)30(33)34(21-12-10-20(31)11-13-21)24-6-4-7-25(36)29(24)28/h2-3,5,8-15,28H,4,6-7,17,33H2,1H3InChIKey
KTEMHVPBUSQYRV-UHFFFAOYSA-NSynonyms
444909-60-82amino1(4bromophenyl)4(4methoxy3((2nitrophenoxy)methyl)phenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino1(4bromophenyl)4(4methoxy3((2nitrophenoxy)methyl)phenyl)5oxo4678tetrahydroquinoline3carbonitrile
444909608
COC1=C(C=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=C(C=C4)Br)N)C#N)COC5=CC=CC=C5(N+)(=O)(O)
InChI=1SC30H25BrN4O5c1392614918(1519(26)174027832523(27)35(37)38)2822(1632)30(33)34(21121020(31)111321)2464725(36)29(24)28h23581528H4671733H21H3
MFCD02605950
N#CC1=C(N)N(c2ccc(cc2)Br)C2=C(C1c1ccc(c(c1)COc1ccccc1(N+)(=O)(O))OC)C(=O)CCC2
ZINC000008455918
ZINC000008455919
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