Vitas-M small molecule compound
(6E)-6-({2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-5-imino-2-(methylsulfanyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224645
SMILES CSc1nn2c(=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 C20H16F3N5OS2 MW 463.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16F3N5OS2/c1-10-7-12(11(2)27(10)14-6-4-5-13(9-14)20(21,22)23)8-15-16(24)28-18(25-17(15)29)31-19(26-28)30-3/h4-9,24H,1-3H3/b15-8+,24-16-InChIKey
ZBGHLQLHUBEQSD-WALZVUBYSA-NSynonyms
850800-76-9(6E)6((25dimethyl1(3(trifluoromethyl)phenyl)1Hpyrrol3yl)methylidene)5imino2(methylsulfanyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((25dimethyl1(3(trifluoromethyl)phenyl)1Hpyrrol3yl)methylene)5imino2(methylthio)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
850800769
CSc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3cccc(c3)C(F)(F)F)C)C2=N)s1
MFCD05695439
ZINC000009293194
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