Vitas-M small molecule compound
(6E)-6-{[1-(3,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-propyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL145966
SMILES CCCc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3cc(Cl)cc(c3)Cl)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 C21H19Cl2N5OS MW 460.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19Cl2N5OS/c1-4-5-18-26-28-19(24)17(20(29)25-21(28)30-18)7-13-6-11(2)27(12(13)3)16-9-14(22)8-15(23)10-16/h6-10,24H,4-5H2,1-3H3/b17-7+,24-19-InChIKey
RTOYYMZMAIQAAL-JCNQRYCZSA-NSynonyms
848223-24-5(6E)6((1(35dichlorophenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino2propyl56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(35dichlorophenyl)25dimethyl1Hpyrrol3yl)methylene)5imino2propyl5H(134)thiadiazolo(32a)pyrimidin7(6H)one
848223245
CCCc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3cc(Cl)cc(c3)Cl)C)C2=N)s1
MFCD04190081
ZINC000009161475
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