Vitas-M small molecule compound
(6E)-5-imino-6-(5-nitro-2-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}benzylidene)-2-(trifluoromethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK531971
SMILES C=CCc1ccccc1OCCOc1ccc(cc1/C=C\1/C(=O)N=c2n(C1=N)nc(s2)C(F)(F)F)[N+](=O)[O-]
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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 C24H18F3N5O5S MW 545.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18F3N5O5S/c1-2-5-14-6-3-4-7-18(14)36-10-11-37-19-9-8-16(32(34)35)12-15(19)13-17-20(28)31-23(29-21(17)33)38-22(30-31)24(25,26)27/h2-4,6-9,12-13,28H,1,5,10-11H2/b17-13+,28-20+InChIKey
SIMMSWNPUHHSHL-OYYFMAMWSA-NSynonyms
(6E)5imino6(5nitro2(2(2(prop2en1yl)phenoxy)ethoxy)benzylidene)2(trifluoromethyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6(2(2(2allylphenoxy)ethoxy)5nitrobenzylidene)5imino2(trifluoromethyl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
C=CCc1ccccc1OCCOc1ccc(cc1C=C1C(=O)N=c2n(C1=N)nc(s2)C(F)(F)F)(N+)(=O)(O)
MFCD02238588
ZINC000001875178
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