Vitas-M small molecule compound
(6E)-6-({2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-5-imino-2-pentyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224853
SMILES CCCCCc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3cccc(c3)C(F)(F)F)C)/C2=N)s1
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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/c1-4-5-6-10-20-30-32-21(28)19(22(33)29-23(32)34-20)12-16-11-14(2)31(15(16)3)18-9-7-8-17(13-18)24(25,26)27/h7-9,11-13,28H,4-6,10H2,1-3H3/b19-12+,28-21-InChIKey
HSJVAWIELDZGRL-SRTHWZTQSA-NSynonyms
861116-23-6(6E)6((25dimethyl1(3(trifluoromethyl)phenyl)1Hpyrrol3yl)methylidene)5imino2pentyl56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((25dimethyl1(3(trifluoromethyl)phenyl)1Hpyrrol3yl)methylene)5imino2pentyl5H(134)thiadiazolo(32a)pyrimidin7(6H)one
861116236
CCCCCc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3cccc(c3)C(F)(F)F)C)C2=N)s1
MFCD05682879
ZINC000009307492
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