Vitas-M small molecule compound
(6Z)-6-{4-[(2-fluorobenzyl)oxy]-3-methoxybenzylidene}-5-imino-2-(trifluoromethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK057197
SMILES COc1cc(ccc1OCc1ccccc1F)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)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 C21H14F4N4O3S MW 478.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14F4N4O3S/c1-31-16-9-11(6-7-15(16)32-10-12-4-2-3-5-14(12)22)8-13-17(26)29-20(27-18(13)30)33-19(28-29)21(23,24)25/h2-9,26H,10H2,1H3/b13-8-,26-17-InChIKey
SISXJSDJFFFKLU-NQXOIUKQSA-NSynonyms
(6Z)6(4((2fluorobenzyl)oxy)3methoxybenzylidene)5imino2(trifluoromethyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
COc1cc(ccc1OCc1ccccc1F)C=C1C(=O)N=c2n(C1=N)nc(s2)C(F)(F)F
MFCD02919038
STK057197
ZINC000013895853
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