Vitas-M small molecule compound
(6Z)-5-imino-6-{3-[2-(3-methylphenoxy)ethoxy]benzylidene}-2-(trifluoromethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK028606
SMILES Cc1cccc(c1)OCCOc1cccc(c1)/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 C22H17F3N4O3S MW 474.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17F3N4O3S/c1-13-4-2-6-15(10-13)31-8-9-32-16-7-3-5-14(11-16)12-17-18(26)29-21(27-19(17)30)33-20(28-29)22(23,24)25/h2-7,10-12,26H,8-9H2,1H3/b17-12-,26-18-InChIKey
MAWXSZSIVDENSD-VPDHHAEQSA-NSynonyms
(6Z)5imino6(3(2(3methylphenoxy)ethoxy)benzylidene)2(trifluoromethyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)5imino6(3(2(mtolyloxy)ethoxy)benzylidene)2(trifluoromethyl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
Cc1cccc(c1)OCCOc1cccc(c1)C=C1C(=O)N=c2n(C1=N)nc(s2)C(F)(F)F
MFCD03135887
STK028606
ZINC000009136939
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