Vitas-M small molecule compound
(6Z)-6-{[1-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-(trifluoromethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224627
SMILES CCOc1ccccc1n1c(C)cc(c1C)/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 C21H18F3N5O2S MW 461.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18F3N5O2S/c1-4-31-16-8-6-5-7-15(16)28-11(2)9-13(12(28)3)10-14-17(25)29-20(26-18(14)30)32-19(27-29)21(22,23)24/h5-10,25H,4H2,1-3H3/b14-10-,25-17-InChIKey
OCCPHNJDUKZSOB-QBKUMRHXSA-NSynonyms
(6Z)6((1(2ethoxyphenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino2(trifluoromethyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(2ethoxyphenyl)25dimethyl1Hpyrrol3yl)methylene)5imino2(trifluoromethyl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
CCOc1ccccc1n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)nc(s2)C(F)(F)F
MFCD24857838
ZINC000034792586
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