Vitas-M small molecule compound
9-[3-(benzyloxy)-4-methoxyphenyl]-6-(thiophen-2-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK334988
SMILES COc1ccc(cc1OCc1ccccc1)C1C2=C(CC(CC2=O)c2cccs2)Nc2n1ncn2
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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 C27H24N4O3S MW 484.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N4O3S/c1-33-22-10-9-18(14-23(22)34-15-17-6-3-2-4-7-17)26-25-20(30-27-28-16-29-31(26)27)12-19(13-21(25)32)24-8-5-11-35-24/h2-11,14,16,19,26H,12-13,15H2,1H3,(H,28,29,30)InChIKey
AUBHBHVCNKYXDE-UHFFFAOYSA-NSynonyms
9(3(benzyloxy)4methoxyphenyl)6(thiophen2yl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
9(4methoxy3phenylmethoxyphenyl)6thiophen2yl5679tetrahydro1H(124)triazolo(51b)quinazolin8one
COC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=CS4)N=C5N2NC=N5)OCC6=CC=CC=C6
InChI=1SC27H24N4O3Sc1332210918(1423(22)3415176324717)262520(302728162931(26)27)1219(1321(25)32)2485113524h21114161926H121315H21H3(H282930)
MFCD09963775
ZINC000012349776
ZINC000012349791
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