Vitas-M small molecule compound
2-(benzylsulfanyl)-9-(4-fluorophenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK210441
SMILES Fc1ccc(cc1)C1C2=C(Nc3n1nc(n3)SCc1ccccc1)CC(CC2=O)(C)C
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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 C24H23FN4OS MW 434.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23FN4OS/c1-24(2)12-18-20(19(30)13-24)21(16-8-10-17(25)11-9-16)29-22(26-18)27-23(28-29)31-14-15-6-4-3-5-7-15/h3-11,21H,12-14H2,1-2H3,(H,26,27,28)InChIKey
QXNPTXXBRHSOKJ-UHFFFAOYSA-NSynonyms
2(benzylsulfanyl)9(4fluorophenyl)66dimethyl5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
2benzylsulfanyl9(4fluorophenyl)66dimethyl1579tetrahydro(124)triazolo(51b)quinazolin8one
CC1(CC2=C(C(N3C(=N2)N=C(N3)SCC4=CC=CC=C4)C5=CC=C(C=C5)F)C(=O)C1)C
InChI=1SC24H23FN4OSc124(2)121820(19(30)1324)21(1681017(25)11916)2922(2618)2723(2829)3114156435715h31121H1214H212H3(H262728)
MFCD06193303
ZINC000010035399
ZINC000010035401
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