Vitas-M small molecule compound
(6E)-6-{[1-(3-chloro-2-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-(ethylsulfanyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224594
SMILES CCSc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3cccc(c3C)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 C21H20ClN5OS2 MW 458.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN5OS2/c1-5-29-21-25-27-18(23)15(19(28)24-20(27)30-21)10-14-9-11(2)26(13(14)4)17-8-6-7-16(22)12(17)3/h6-10,23H,5H2,1-4H3/b15-10+,23-18-InChIKey
DQIOEVRSTNKHDJ-WAAAWTELSA-NSynonyms
848220-88-2(6E)6((1(3chloro2methylphenyl)25dimethyl1Hpyrrol3yl)methylidene)2(ethylsulfanyl)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(3chloro2methylphenyl)25dimethyl1Hpyrrol3yl)methylene)2(ethylthio)5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
848220882
CCSc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3cccc(c3C)Cl)C)C2=N)s1
MFCD04189777
ZINC000009161456
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