Vitas-M small molecule compound
4-(4-methoxy-3-nitrophenyl)-3,4,5,6-tetrahydrobenzo[h]quinazolin-2(1H)-one
Catalog ID
STL071474
SMILES COc1ccc(cc1[N+](=O)[O-])C1NC(=O)NC2=C1CCc1c2cccc1
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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 C19H17N3O4 MW 351.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N3O4/c1-26-16-9-7-12(10-15(16)22(24)25)17-14-8-6-11-4-2-3-5-13(11)18(14)21-19(23)20-17/h2-5,7,9-10,17H,6,8H2,1H3,(H2,20,21,23)InChIKey
ZJKZXSOVMJUGKD-UHFFFAOYSA-NSynonyms
674815-69-14(4methoxy3nitrophenyl)3456tetrahydro1Hbenzo(h)quinazolin2one
4(4methoxy3nitrophenyl)3456tetrahydrobenzo(h)quinazolin2(1H)one
674815691
COC1=C(C=C(C=C1)C2C3=C(C4=CC=CC=C4CC3)NC(=O)N2)(N+)(=O)(O)
COc1ccc(cc1(N+)(=O)(O))C1NC(=O)NC2=C1CCc1c2cccc1
InChI=1SC19H17N3O4c126169712(1015(16)22(24)25)17148611423513(11)18(14)2119(23)2017h25791017H68H21H3(H2202123)
MFCD04079493
ZINC000001109636
ZINC000001109637
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