Vitas-M small molecule compound
(6Z)-6-{4-[(4-fluorobenzyl)oxy]benzylidene}-5-imino-2-(trifluoromethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK075364
SMILES Fc1ccc(cc1)COc1ccc(cc1)/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 C20H12F4N4O2S MW 448.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H12F4N4O2S/c21-13-5-1-12(2-6-13)10-30-14-7-3-11(4-8-14)9-15-16(25)28-19(26-17(15)29)31-18(27-28)20(22,23)24/h1-9,25H,10H2/b15-9-,25-16-InChIKey
IWMRMLXJVLOWHK-HCYIJWTPSA-NSynonyms
(6Z)6(4((4fluorobenzyl)oxy)benzylidene)5imino2(trifluoromethyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6(4((4fluorobenzyl)oxy)benzylidene)5imino2(trifluoromethyl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
Fc1ccc(cc1)COc1ccc(cc1)C=C1C(=O)N=c2n(C1=N)nc(s2)C(F)(F)F
MFCD08672823
STK075364
ZINC000013899253
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