Vitas-M small molecule compound
9-(3,5-difluorophenyl)-6-(thiophen-2-yl)-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK232155
SMILES Fc1cc(cc(c1)F)C1C2=C(CC(CC2=O)c2cccs2)Nc2n1nc(n2)C(F)(F)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 C20H13F5N4OS MW 452.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13F5N4OS/c21-11-4-10(5-12(22)8-11)17-16-13(6-9(7-14(16)30)15-2-1-3-31-15)26-19-27-18(20(23,24)25)28-29(17)19/h1-5,8-9,17H,6-7H2,(H,26,27,28)InChIKey
NUTWHHOSWGDHCE-UHFFFAOYSA-NSynonyms
777871-02-0777871020
9(35difluorophenyl)6(thiophen2yl)2(trifluoromethyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
9(35difluorophenyl)6thiophen2yl2(trifluoromethyl)5679tetrahydro1H(124)triazolo(51b)quinazolin8one
C1C(CC(=O)C2=C1N=C3N=C(NN3C2C4=CC(=CC(=C4)F)F)C(F)(F)F)C5=CC=CS5
InChI=1SC20H13F5N4OSc2111410(512(22)811)171613(69(714(16)30)152133115)26192718(20(2324)25)2829(17)19h158917H67H2(H262728)
MFCD06598335
ZINC000009266858
ZINC000018222442
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