Vitas-M small molecule compound
9-[4-(benzyloxy)phenyl]-6-(thiophen-2-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK334985
SMILES O=C1CC(CC2=C1C(c1ccc(cc1)OCc1ccccc1)n1c(N2)ncn1)c1cccs1
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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 C26H22N4O2S MW 454.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N4O2S/c31-22-14-19(23-7-4-12-33-23)13-21-24(22)25(30-26(29-21)27-16-28-30)18-8-10-20(11-9-18)32-15-17-5-2-1-3-6-17/h1-12,16,19,25H,13-15H2,(H,27,28,29)InChIKey
YQACJSSWLIQACK-UHFFFAOYSA-NSynonyms
9(4(benzyloxy)phenyl)6(thiophen2yl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
9(4phenylmethoxyphenyl)6thiophen2yl5679tetrahydro1H(124)triazolo(51b)quinazolin8one
C1C(CC(=O)C2=C1N=C3N=CNN3C2C4=CC=C(C=C4)OCC5=CC=CC=C5)C6=CC=CS6
InChI=1SC26H22N4O2Sc31221419(2374123323)132124(22)25(3026(2921)27162830)1881020(11918)3215175213617h112161925H1315H2(H272829)
MFCD09963772
ZINC000018197937
ZINC000018197942
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