Vitas-M small molecule compound
(6Z)-6-{[1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-methyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224299
SMILES Cc1nn2c(=NC(=O)/C(=C\c3cc(n(c3C)c3ccc(c(c3)Cl)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 C19H15ClFN5OS MW 415.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15ClFN5OS/c1-9-6-12(10(2)25(9)13-4-5-16(21)15(20)8-13)7-14-17(22)26-19(23-18(14)27)28-11(3)24-26/h4-8,22H,1-3H3/b14-7-,22-17-InChIKey
WNLHCFZZRREAGS-WBHQDXKASA-NSynonyms
(6Z)6((1(3chloro4fluorophenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino2methyl56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(3chloro4fluorophenyl)25dimethyl1Hpyrrol3yl)methylene)5imino2methyl5H(134)thiadiazolo(32a)pyrimidin7(6H)one
Cc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3ccc(c(c3)Cl)F)C)C2=N)s1
MFCD24857719
ZINC000033374725
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