Vitas-M small molecule compound
9-[4-(benzyloxy)phenyl]-6-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK335015
SMILES COc1c(OC)cc(cc1OC)C1CC(=O)C2=C(C1)Nc1n(C2c2ccc(cc2)OCc2ccccc2)ncn1
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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 C31H30N4O5 MW 538.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N4O5/c1-37-26-15-22(16-27(38-2)30(26)39-3)21-13-24-28(25(36)14-21)29(35-31(34-24)32-18-33-35)20-9-11-23(12-10-20)40-17-19-7-5-4-6-8-19/h4-12,15-16,18,21,29H,13-14,17H2,1-3H3,(H,32,33,34)InChIKey
RKOUFMYWFOYDAV-UHFFFAOYSA-NSynonyms
9(4(benzyloxy)phenyl)6(345trimethoxyphenyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
9(4phenylmethoxyphenyl)6(345trimethoxyphenyl)5679tetrahydro1H(124)triazolo(51b)quinazolin8one
COC1=CC(=CC(=C1OC)OC)C2CC3=C(C(N4C(=N3)N=CN4)C5=CC=C(C=C5)OCC6=CC=CC=C6)C(=O)C2
InChI=1SC31H30N4O5c137261522(1627(382)30(26)393)21132428(25(36)1421)29(3531(3424)32183335)2091123(121020)4017197546819h4121516182129H131417H213H3(H323334)
MFCD09963801
ZINC000102051677
ZINC000102051691
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