Vitas-M small molecule compound
9-[3-(benzyloxy)phenyl]-6-(3,4-dimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK335232
SMILES COc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1n(C2c2cccc(c2)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 C30H28N4O4 MW 508.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N4O4/c1-36-26-12-11-20(16-27(26)37-2)22-14-24-28(25(35)15-22)29(34-30(33-24)31-18-32-34)21-9-6-10-23(13-21)38-17-19-7-4-3-5-8-19/h3-13,16,18,22,29H,14-15,17H2,1-2H3,(H,31,32,33)InChIKey
XPZWMYITNWDAMM-UHFFFAOYSA-NSynonyms
6(34dimethoxyphenyl)9(3phenylmethoxyphenyl)5679tetrahydro1H(124)triazolo(51b)quinazolin8one
9(3(benzyloxy)phenyl)6(34dimethoxyphenyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
COC1=C(C=C(C=C1)C2CC3=C(C(N4C(=N3)N=CN4)C5=CC(=CC=C5)OCC6=CC=CC=C6)C(=O)C2)OC
InChI=1SC30H28N4O4c13626121120(1627(26)372)22142428(25(35)1522)29(3430(3324)31183234)21961023(1321)3817197435819h31316182229H141517H212H3(H313233)
MFCD09963864
ZINC000018198492
ZINC000018198497
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