Vitas-M small molecule compound
(6Z)-6-{[1-(2,5-dichlorophenyl)-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
STL224498
SMILES CCc1nn2c(=NC(=O)/C(=C\c3cc(n(c3C)c3cc(Cl)ccc3Cl)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 C20H17Cl2N5OS MW 446.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17Cl2N5OS/c1-4-17-25-27-18(23)14(19(28)24-20(27)29-17)8-12-7-10(2)26(11(12)3)16-9-13(21)5-6-15(16)22/h5-9,23H,4H2,1-3H3/b14-8-,23-18-InChIKey
LBKHMUGTHFRQMF-GKCVWWTLSA-NSynonyms
(6Z)6((1(25dichlorophenyl)25dimethyl1Hpyrrol3yl)methylidene)2ethyl5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(25dichlorophenyl)25dimethyl1Hpyrrol3yl)methylene)2ethyl5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
CCc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3cc(Cl)ccc3Cl)C)C2=N)s1
MFCD24857793
ZINC000080348150
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