Vitas-M small molecule compound
(6E)-6-{[1-(3-chloro-4-methoxyphenyl)-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
STL224832
SMILES CCCCCc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3ccc(c(c3)Cl)OC)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 C24H26ClN5O2S MW 484.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26ClN5O2S/c1-5-6-7-8-21-28-30-22(26)18(23(31)27-24(30)33-21)12-16-11-14(2)29(15(16)3)17-9-10-20(32-4)19(25)13-17/h9-13,26H,5-8H2,1-4H3/b18-12+,26-22-InChIKey
BQSMYNRFXVXDRV-IWJBQSHQSA-NSynonyms
667880-62-8(6E)6((1(3chloro4methoxyphenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino2pentyl56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(3chloro4methoxyphenyl)25dimethyl1Hpyrrol3yl)methylene)5imino2pentyl5H(134)thiadiazolo(32a)pyrimidin7(6H)one
667880628
CCCCCc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3ccc(c(c3)Cl)OC)C)C2=N)s1
MFCD03865914
ZINC000005946140
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