Vitas-M small molecule compound
(6E)-6-({2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-5-imino-2-(pentan-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL225075
SMILES CCC(c1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3cccc(c3)C(F)(F)F)C)/C2=N)s1)CC
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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 C24H24F3N5OS MW 487.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24F3N5OS/c1-5-15(6-2)22-30-32-20(28)19(21(33)29-23(32)34-22)11-16-10-13(3)31(14(16)4)18-9-7-8-17(12-18)24(25,26)27/h7-12,15,28H,5-6H2,1-4H3/b19-11+,28-20-InChIKey
CTEROZYBCCUABJ-QBQXQSBYSA-NSynonyms
846586-64-9(6E)6((25dimethyl1(3(trifluoromethyl)phenyl)1Hpyrrol3yl)methylidene)5imino2(pentan3yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((25dimethyl1(3(trifluoromethyl)phenyl)1Hpyrrol3yl)methylene)5imino2(pentan3yl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
846586649
CCC(c1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3cccc(c3)C(F)(F)F)C)C2=N)s1)CC
MFCD04175677
ZINC000009282733
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