Vitas-M small molecule compound
(6Z)-6-{[1-(5-chloro-2-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224459
SMILES CCc1nn2c(=NC(=O)/C(=C\c3cc(n(c3C)c3cc(Cl)ccc3OC)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 C21H20ClN5O2S MW 441.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN5O2S/c1-5-18-25-27-19(23)15(20(28)24-21(27)30-18)9-13-8-11(2)26(12(13)3)16-10-14(22)6-7-17(16)29-4/h6-10,23H,5H2,1-4H3/b15-9-,23-19-InChIKey
DAIPJTPKFQBRSW-FIJPKLNTSA-NSynonyms
(6Z)6((1(5chloro2methoxyphenyl)25dimethyl1Hpyrrol3yl)methylidene)2ethyl5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(5chloro2methoxyphenyl)25dimethyl1Hpyrrol3yl)methylene)2ethyl5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
CCc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3cc(Cl)ccc3OC)C)C2=N)s1
MFCD24857779
ZINC000080348145
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