Vitas-M small molecule compound
(6Z)-5-imino-6-{[1-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-(trifluoromethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224499
SMILES COc1ccccc1n1c(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 C20H16F3N5O2S MW 447.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16F3N5O2S/c1-10-8-12(11(2)27(10)14-6-4-5-7-15(14)30-3)9-13-16(24)28-19(25-17(13)29)31-18(26-28)20(21,22)23/h4-9,24H,1-3H3/b13-9-,24-16-InChIKey
CCNKOJUNOBGSJR-RQLMXERCSA-NSynonyms
(6Z)5imino6((1(2methoxyphenyl)25dimethyl1Hpyrrol3yl)methylidene)2(trifluoromethyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)5imino6((1(2methoxyphenyl)25dimethyl1Hpyrrol3yl)methylene)2(trifluoromethyl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
COc1ccccc1n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)nc(s2)C(F)(F)F
MFCD24857794
ZINC000033928401
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