Vitas-M small molecule compound
(6E)-6-{[1-(5-chloro-2,4-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
STL224900
SMILES COc1cc(OC)c(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 C21H20ClN5O3S2 MW 490.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN5O3S2/c1-10-6-12(7-13-18(23)27-20(24-19(13)28)32-21(25-27)31-5)11(2)26(10)15-8-14(22)16(29-3)9-17(15)30-4/h6-9,23H,1-5H3/b13-7+,23-18-InChIKey
HREWUSGTGQRXEV-DTJWSLGJSA-NSynonyms
850229-16-2(6E)6((1(5chloro24dimethoxyphenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino2(methylsulfanyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(5chloro24dimethoxyphenyl)25dimethyl1Hpyrrol3yl)methylene)5imino2(methylthio)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
850229162
COc1cc(OC)c(cc1n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)nc(s2)SC)Cl
MFCD05691105
ZINC000009309776
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