Vitas-M small molecule compound
(6E)-6-{[1-(3,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-pentyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224880
SMILES CCCCCc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3cc(Cl)cc(c3)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 C23H23Cl2N5OS MW 488.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23Cl2N5OS/c1-4-5-6-7-20-28-30-21(26)19(22(31)27-23(30)32-20)9-15-8-13(2)29(14(15)3)18-11-16(24)10-17(25)12-18/h8-12,26H,4-7H2,1-3H3/b19-9+,26-21-InChIKey
NEUXKOSJEIFZES-HFRZRICWSA-NSynonyms
862244-60-8(6E)6((1(35dichlorophenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino2pentyl56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(35dichlorophenyl)25dimethyl1Hpyrrol3yl)methylene)5imino2pentyl5H(134)thiadiazolo(32a)pyrimidin7(6H)one
862244608
CCCCCc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3cc(Cl)cc(c3)Cl)C)C2=N)s1
MFCD05698064
ZINC000009292215
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