Vitas-M small molecule compound
(6E)-6-{[2,5-dimethyl-1-(4-methylphenyl)-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
STL224266
SMILES CCCc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3ccc(cc3)C)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 C22H23N5OS MW 405.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5OS/c1-5-6-19-25-27-20(23)18(21(28)24-22(27)29-19)12-16-11-14(3)26(15(16)4)17-9-7-13(2)8-10-17/h7-12,23H,5-6H2,1-4H3/b18-12+,23-20-InChIKey
XGEAQJICQZZQIO-INNVFMJMSA-NSynonyms
847048-97-9(6E)6((25dimethyl1(4methylphenyl)1Hpyrrol3yl)methylidene)5imino2propyl56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((25dimethyl1(ptolyl)1Hpyrrol3yl)methylene)5imino2propyl5H(134)thiadiazolo(32a)pyrimidin7(6H)one
847048979
CCCc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3ccc(cc3)C)C)C2=N)s1
MFCD04182555
ZINC000005163854
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