Vitas-M small molecule compound
(6Z)-6-{[1-(5-chloro-2-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-(propan-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224572
SMILES COc1ccc(cc1n1c(C)cc(c1C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)C(C)C)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 C22H22ClN5O2S MW 455.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClN5O2S/c1-11(2)21-26-28-19(24)16(20(29)25-22(28)31-21)9-14-8-12(3)27(13(14)4)17-10-15(23)6-7-18(17)30-5/h6-11,24H,1-5H3/b16-9-,24-19-InChIKey
LVNQPEZSYVSNIE-QUXBZYTNSA-NSynonyms
(6Z)6((1(5chloro2methoxyphenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino2(propan2yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(5chloro2methoxyphenyl)25dimethyl1Hpyrrol3yl)methylene)5imino2isopropyl5H(134)thiadiazolo(32a)pyrimidin7(6H)one
COc1ccc(cc1n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)nc(s2)C(C)C)Cl
MFCD24857818
ZINC000041083225
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