Vitas-M small molecule compound
(6E)-6-{[1-(2,5-dimethoxyphenyl)-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
STL145962
SMILES COc1ccc(cc1n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)SC)OC
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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 C21H21N5O3S2 MW 455.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O3S2/c1-11-8-13(12(2)25(11)16-10-14(28-3)6-7-17(16)29-4)9-15-18(22)26-20(23-19(15)27)31-21(24-26)30-5/h6-10,22H,1-5H3/b15-9+,22-18-InChIKey
RTGWJWQKOIECOY-LWERJAICSA-NSynonyms
877788-16-4(6E)6((1(25dimethoxyphenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino2(methylsulfanyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(25dimethoxyphenyl)25dimethyl1Hpyrrol3yl)methylene)5imino2(methylthio)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
877788164
COc1ccc(cc1n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)nc(s2)SC)OC
MFCD05701638
ZINC000009293391
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