Vitas-M small molecule compound

methyl (2Z)-5-amino-8-cyano-2-(2,4-dichlorobenzylidene)-7-(2,4-dichlorophenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate

Catalog ID
STL062213
SMILES COC(=O)C1=C(N)n2c(=C(C1c1ccc(cc1Cl)Cl)C#N)s/c(=C\c1ccc(cc1Cl)Cl)/c2=O

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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 C23H13Cl4N3O3S MW 553.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H13Cl4N3O3S/c1-33-23(32)19-18(13-5-4-12(25)8-16(13)27)14(9-28)22-30(20(19)29)21(31)17(34-22)6-10-2-3-11(24)7-15(10)26/h2-8,18H,29H2,1H3/b17-6-
InChIKey
OWLRCLXBYUDCLA-FMQZQXMHSA-N
Synonyms

(E)methyl5amino8cyano2(24dichlorobenzylidene)7(24dichlorophenyl)3oxo37dihydro2Hthiazolo(32a)pyridine6carboxylate
COC(=O)C1=C(N)n2c(=C(C1c1ccc(cc1Cl)Cl)C#N)sc(=Cc1ccc(cc1Cl)Cl)c2=O
COC(=O)C1=C(N2C(=C(C1C3=C(C=C(C=C3)Cl)Cl)C#N)SC(=CC4=C(C=C(C=C4)Cl)Cl)C2=O)N
InChI=1SC23H13Cl4N3O3Sc13323(32)1918(135412(25)816(13)27)14(928)2230(20(19)29)21(31)17(3422)6102311(24)715(10)26h2818H29H21H3b176
methyl(2Z)5amino8cyano2(24dichlorobenzylidene)7(24dichlorophenyl)3oxo23dihydro7H(13)thiazolo(32a)pyridine6carboxylate
METHYL(2Z)5AMINO8CYANO7(24DICHLOROPHENYL)2((24DICHLOROPHENYL)METHYLIDENE)3OXO7H(13)THIAZOLO(32A)PYRIDINE6CARBOXYLATE
MFCD01789394
ZINC000001897706
ZINC000001897708

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.