Vitas-M small molecule compound
5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2,3-dimethyl-7-nitroquinazolin-4(3H)-one
Catalog ID
STK786364
SMILES COc1ccc(cc1OC)CCNc1cc(cc2c1c(=O)n(c(n2)C)C)[N+](=O)[O-]
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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 C20H22N4O5 MW 398.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O5/c1-12-22-16-11-14(24(26)27)10-15(19(16)20(25)23(12)2)21-8-7-13-5-6-17(28-3)18(9-13)29-4/h5-6,9-11,21H,7-8H2,1-4H3InChIKey
VQTUINQOGHDMBD-UHFFFAOYSA-NSynonyms
5((2(34dimethoxyphenyl)ethyl)amino)23dimethyl7nitroquinazolin4(3H)one
5(2(34dimethoxyphenyl)ethylamino)23dimethyl7nitroquinazolin4one
CC1=NC2=CC(=CC(=C2C(=O)N1C)NCCC3=CC(=C(C=C3)OC)OC)(N+)(=O)(O)
COc1ccc(cc1OC)CCNc1cc(cc2c1c(=O)n(c(n2)C)C)(N+)(=O)(O)
InChI=1SC20H22N4O5c11222161114(24(26)27)1015(19(16)20(25)23(12)2)2187135617(283)18(913)294h5691121H78H214H3
MFCD08532318
ZINC000012463262
ZINC12463262
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