Vitas-M small molecule compound
(6E)-6-{[1-(4-chloro-2-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-propyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK712722
SMILES CCCc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3ccc(cc3C)Cl)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 C22H22ClN5OS MW 439.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClN5OS/c1-5-6-19-26-28-20(24)17(21(29)25-22(28)30-19)11-15-10-13(3)27(14(15)4)18-8-7-16(23)9-12(18)2/h7-11,24H,5-6H2,1-4H3/b17-11+,24-20-InChIKey
UIFICJWPTFMSSX-WJTNBJAWSA-NSynonyms
877779-99-2(6E)6((1(4chloro2methylphenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino2propyl56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(4chloro2methylphenyl)25dimethyl1Hpyrrol3yl)methylene)5imino2propyl5H(134)thiadiazolo(32a)pyrimidin7(6H)one
877779992
CCCc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3ccc(cc3C)Cl)C)C2=N)s1
MFCD05700184
ZINC000009293316
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