Vitas-M small molecule compound

9-(3,5-difluorophenyl)-6-methyl-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one

Catalog ID
STK228778
SMILES CC1CC2=C(C(=O)C1)C(n1c(N2)nc(n1)C(F)(F)F)c1cc(F)cc(c1)F

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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 C17H13F5N4O MW 384.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13F5N4O/c1-7-2-11-13(12(27)3-7)14(8-4-9(18)6-10(19)5-8)26-16(23-11)24-15(25-26)17(20,21)22/h4-7,14H,2-3H2,1H3,(H,23,24,25)
InChIKey
RQLLVSNAMTWVIM-UHFFFAOYSA-N
Synonyms
777870-78-7
777870787
9(35difluorophenyl)6methyl2(trifluoromethyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
9(35difluorophenyl)6methyl2(trifluoromethyl)5679tetrahydro1H(124)triazolo(51b)quinazolin8one
CC1CC2=C(C(N3C(=N2)N=C(N3)C(F)(F)F)C4=CC(=CC(=C4)F)F)C(=O)C1
InChI=1SC17H13F5N4Oc1721113(12(27)37)14(849(18)610(19)58)2616(2311)2415(2526)17(2021)22h4714H23H21H3(H232425)
MFCD06612279
ZINC000018222041
ZINC000018222046

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Available files

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