Vitas-M small molecule compound
(6Z)-5-imino-6-[4-(2-phenoxyethoxy)benzylidene]-2-(trifluoromethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK002299
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(cc1)OCCOc1ccccc1)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 C21H15F3N4O3S MW 460.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15F3N4O3S/c22-21(23,24)19-27-28-17(25)16(18(29)26-20(28)32-19)12-13-6-8-15(9-7-13)31-11-10-30-14-4-2-1-3-5-14/h1-9,12,25H,10-11H2/b16-12-,25-17-InChIKey
FCWJBDNAPCAOBX-CAROEJJBSA-NSynonyms
(6Z)5imino6(4(2phenoxyethoxy)benzylidene)2(trifluoromethyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)5imino6(4(2phenoxyethoxy)benzylidene)2(trifluoromethyl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
MFCD02578553
O=C1N=c2sc(nn2C(=N)C1=Cc1ccc(cc1)OCCOc1ccccc1)C(F)(F)F
STK002299
ZINC000008916129
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