Vitas-M small molecule compound

(8E)-8-[2-(difluoromethoxy)benzylidene]-4-[2-(difluoromethoxy)phenyl]-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione

Catalog ID
STL112553
SMILES FC(Oc1ccccc1/C=C/1\CCCC2=C1NC(=S)NC2c1ccccc1OC(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 C23H20F4N2O2S MW 464.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20F4N2O2S/c24-21(25)30-17-10-3-1-6-13(17)12-14-7-5-9-16-19(14)28-23(32)29-20(16)15-8-2-4-11-18(15)31-22(26)27/h1-4,6,8,10-12,20-22H,5,7,9H2,(H2,28,29,32)/b14-12+
InChIKey
MJBHZFXZSXWWHX-WYMLVPIESA-N
Synonyms

(8E)4(2(difluoromethoxy)phenyl)8((2(difluoromethoxy)phenyl)methylidene)134567hexahydroquinazoline2thione
(8E)8(2(difluoromethoxy)benzylidene)4(2(difluoromethoxy)phenyl)345678hexahydroquinazoline2(1H)thione
C1CC(=CC2=CC=CC=C2OC(F)F)C3=C(C1)C(NC(=S)N3)C4=CC=CC=C4OC(F)F
FC(Oc1ccccc1C=C1CCCC2=C1NC(=S)NC2c1ccccc1OC(F)F)F
InChI=1SC23H20F4N2O2Sc2421(25)30171031613(17)12147591619(14)2823(32)2920(16)158241118(15)3122(26)27h146810122022H579H2(H2282932)b1412+
MFCD19104938
ZINC000067172421
ZINC000067172422

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Available files

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