Vitas-M small molecule compound
9-(3,5-difluorophenyl)-6,6-dimethyl-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK232156
SMILES CSc1nn2c(n1)NC1=C(C2c2cc(F)cc(c2)F)C(=O)CC(C1)(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 C18H18F2N4OS MW 376.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18F2N4OS/c1-18(2)7-12-14(13(25)8-18)15(9-4-10(19)6-11(20)5-9)24-16(21-12)22-17(23-24)26-3/h4-6,15H,7-8H2,1-3H3,(H,21,22,23)InChIKey
GOFLYOAHXMQRBF-UHFFFAOYSA-NSynonyms
777871-07-5777871075
9(35difluorophenyl)66dimethyl2(methylsulfanyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
9(35difluorophenyl)66dimethyl2(methylthio)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
9(35difluorophenyl)66dimethyl2methylsulfanyl1579tetrahydro(124)triazolo(51b)quinazolin8one
CC1(CC2=C(C(N3C(=N2)N=C(N3)SC)C4=CC(=CC(=C4)F)F)C(=O)C1)C
InChI=1SC18H18F2N4OSc118(2)71214(13(25)818)15(9410(19)611(20)59)2416(2112)2217(2324)263h4615H78H213H3(H212223)
MFCD06603131
ZINC000018222444
ZINC000018222446
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