Vitas-M small molecule compound
3-benzyl-2-{4-methoxy-3-[(4-nitrophenoxy)methyl]phenyl}-2,3-dihydroquinazolin-4(1H)-one
Catalog ID
STK831664
SMILES COc1ccc(cc1COc1ccc(cc1)[N+](=O)[O-])C1Nc2ccccc2C(=O)N1Cc1ccccc1
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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 C29H25N3O5 MW 495.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N3O5/c1-36-27-16-11-21(17-22(27)19-37-24-14-12-23(13-15-24)32(34)35)28-30-26-10-6-5-9-25(26)29(33)31(28)18-20-7-3-2-4-8-20/h2-17,28,30H,18-19H2,1H3InChIKey
GGHLYHKUTJPNAK-UHFFFAOYSA-NSynonyms
3BENZYL2(4METHOXY3((4NITROPHENOXY)METHYL)PHENYL)12DIHYDROQUINAZOLIN4ONE
3benzyl2(4methoxy3((4nitrophenoxy)methyl)phenyl)23dihydroquinazolin4(1H)one
COC1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4)COC5=CC=C(C=C5)(N+)(=O)(O)
COc1ccc(cc1COc1ccc(cc1)(N+)(=O)(O))C1Nc2ccccc2C(=O)N1Cc1ccccc1
InChI=1SC29H25N3O5c13627161121(1722(27)193724141223(131524)32(34)35)2830261065925(26)29(33)31(28)18207324820h2172830H1819H21H3
MFCD02216778
ZINC000002299054
ZINC000002299055
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