Vitas-M small molecule compound

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

Catalog ID
STK538965
SMILES FC(Oc1ccc(cc1)/C=C/1\CCCC2=C1N=c1scc(n1C2c1ccc(cc1)OC(F)F)c1cccc(c1)[N+](=O)[O-])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 C31H23F4N3O4S MW 609.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H23F4N3O4S/c32-29(33)41-23-11-7-18(8-12-23)15-21-4-2-6-25-27(21)36-31-37(28(25)19-9-13-24(14-10-19)42-30(34)35)26(17-43-31)20-3-1-5-22(16-20)38(39)40/h1,3,5,7-17,28-30H,2,4,6H2/b21-15+
InChIKey
YIUGADJIEZPSNK-RCCKNPSSSA-N
Synonyms

(9E)5(4(difluoromethoxy)phenyl)9((4(difluoromethoxy)phenyl)methylidene)3(3nitrophenyl)5678tetrahydro(13)thiazolo(23b)quinazoline
(9E)9(4(difluoromethoxy)benzylidene)5(4(difluoromethoxy)phenyl)3(3nitrophenyl)6789tetrahydro5H(13)thiazolo(23b)quinazoline
(Z)9(4(difluoromethoxy)benzylidene)5(4(difluoromethoxy)phenyl)3(3nitrophenyl)6789tetrahydro5Hthiazolo(23b)quinazoline
C1CC(=CC2=CC=C(C=C2)OC(F)F)C3=C(C1)C(N4C(=CSC4=N3)C5=CC(=CC=C5)(N+)(=O)(O))C6=CC=C(C=C6)OC(F)F
FC(Oc1ccc(cc1)C=C1CCCC2=C1N=c1scc(n1C2c1ccc(cc1)OC(F)F)c1cccc(c1)(N+)(=O)(O))F
InChI=1SC31H23F4N3O4Sc3229(33)412311718(81223)15214262527(21)363137(28(25)1991324(141019)4230(34)35)26(174331)2031522(1620)38(39)40h1357172830H246H2b2115+
MFCD03010193
ZINC000102424330
ZINC000102424338

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Available files

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