Vitas-M small molecule compound
(6E)-6-{[1-(2,4-dichlorophenyl)-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
STL224792
SMILES CCSc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3ccc(cc3Cl)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 C20H17Cl2N5OS2 MW 478.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17Cl2N5OS2/c1-4-29-20-25-27-17(23)14(18(28)24-19(27)30-20)8-12-7-10(2)26(11(12)3)16-6-5-13(21)9-15(16)22/h5-9,23H,4H2,1-3H3/b14-8+,23-17-InChIKey
LSYTVJQLAVHCOV-BGGNVTANSA-NSynonyms
861117-78-4(6E)6((1(24dichlorophenyl)25dimethyl1Hpyrrol3yl)methylidene)2(ethylsulfanyl)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(24dichlorophenyl)25dimethyl1Hpyrrol3yl)methylene)2(ethylthio)5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
861117784
CCSc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3ccc(cc3Cl)Cl)C)C2=N)s1
MFCD05683111
ZINC000009307611
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