Vitas-M small molecule compound
(6E)-6-{[1-(3-chloro-2-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-(2-methylpropyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224559
SMILES CC(Cc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3cccc(c3C)Cl)C)/C2=N)s1)C
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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 C23H24ClN5OS MW 454.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24ClN5OS/c1-12(2)9-20-27-29-21(25)17(22(30)26-23(29)31-20)11-16-10-13(3)28(15(16)5)19-8-6-7-18(24)14(19)4/h6-8,10-12,25H,9H2,1-5H3/b17-11+,25-21-InChIKey
UREXDEICIKTAQT-UNGVNWCMSA-NSynonyms
861124-04-1(6E)6((1(3chloro2methylphenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino2(2methylpropyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(3chloro2methylphenyl)25dimethyl1Hpyrrol3yl)methylene)5imino2isobutyl5H(134)thiadiazolo(32a)pyrimidin7(6H)one
861124041
CC(Cc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3cccc(c3C)Cl)C)C2=N)s1)C
MFCD05683578
ZINC000009307848
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