Vitas-M small molecule compound
(6Z)-6-({2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224488
SMILES CCc1nn2c(=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 C21H18F3N5OS MW 445.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18F3N5OS/c1-4-17-27-29-18(25)16(19(30)26-20(29)31-17)9-13-8-11(2)28(12(13)3)15-7-5-6-14(10-15)21(22,23)24/h5-10,25H,4H2,1-3H3/b16-9-,25-18-InChIKey
SALAHNMMZDAXSC-RQRZDDQQSA-NSynonyms
(6Z)6((25dimethyl1(3(trifluoromethyl)phenyl)1Hpyrrol3yl)methylidene)2ethyl5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((25dimethyl1(3(trifluoromethyl)phenyl)1Hpyrrol3yl)methylene)2ethyl5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
CCc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3cccc(c3)C(F)(F)F)C)C2=N)s1
MFCD24857789
ZINC000033532521
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