Vitas-M small molecule compound
(6E)-6-{[1-(5-chloro-2-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-(methylsulfanyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224617
SMILES COc1ccc(cc1n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)SC)Cl
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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 C20H18ClN5O2S2 MW 459.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClN5O2S2/c1-10-7-12(11(2)25(10)15-9-13(21)5-6-16(15)28-3)8-14-17(22)26-19(23-18(14)27)30-20(24-26)29-4/h5-9,22H,1-4H3/b14-8+,22-17-InChIKey
CTANLXQUCSCROB-FWTKUQDDSA-NSynonyms
850800-69-0(6E)6((1(5chloro2methoxyphenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino2(methylsulfanyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(5chloro2methoxyphenyl)25dimethyl1Hpyrrol3yl)methylene)5imino2(methylthio)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
850800690
COc1ccc(cc1n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)nc(s2)SC)Cl
MFCD05695431
ZINC000009291540
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