Vitas-M small molecule compound

(2E,9E)-9-[4-(difluoromethoxy)benzylidene]-5-[4-(difluoromethoxy)phenyl]-2-(2-fluorobenzylidene)-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazolin-3(2H)-one

Catalog ID
STL115163
SMILES FC(Oc1ccc(cc1)/C=C/1\CCCC2=C1N=c1s/c(=C/c3ccccc3F)/c(=O)n1C2c1ccc(cc1)OC(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 C32H23F5N2O3S MW 610.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H23F5N2O3S/c33-25-7-2-1-4-20(25)17-26-29(40)39-28(19-10-14-23(15-11-19)42-31(36)37)24-6-3-5-21(27(24)38-32(39)43-26)16-18-8-12-22(13-9-18)41-30(34)35/h1-2,4,7-17,28,30-31H,3,5-6H2/b21-16+,26-17+
InChIKey
QXNQAOJBYQAFPC-ZDCPBAQHSA-N
Synonyms

(2E9E)5(4(difluoromethoxy)phenyl)9((4(difluoromethoxy)phenyl)methylidene)2((2fluorophenyl)methylidene)5678tetrahydro(13)thiazolo(23b)quinazolin3one
(2E9E)9(4(difluoromethoxy)benzylidene)5(4(difluoromethoxy)phenyl)2(2fluorobenzylidene)6789tetrahydro5H(13)thiazolo(23b)quinazolin3(2H)one
C1CC(=CC2=CC=C(C=C2)OC(F)F)C3=C(C1)C(N4C(=O)C(=CC5=CC=CC=C5F)SC4=N3)C6=CC=C(C=C6)OC(F)F
FC(Oc1ccc(cc1)C=C1CCCC2=C1N=c1sc(=Cc3ccccc3F)c(=O)n1C2c1ccc(cc1)OC(F)F)F
InChI=1SC32H23F5N2O3Sc3325721420(25)172629(40)3928(19101423(151119)4231(36)37)2463521(27(24)3832(39)4326)161881222(13918)4130(34)35h124717283031H356H2b2116+2617+
MFCD06327159
ZINC000097970842
ZINC000097970843

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Available files

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