Vitas-M small molecule compound

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

Catalog ID
STK790959
SMILES N#CC1=C(N)n2c(=C(C1c1c(F)cccc1Cl)C(=O)OC)s/c(=C\c1c(F)cccc1Cl)/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 C23H13Cl2F2N3O3S MW 520.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H13Cl2F2N3O3S/c1-33-23(32)19-17(18-13(25)5-3-7-15(18)27)11(9-28)20(29)30-21(31)16(34-22(19)30)8-10-12(24)4-2-6-14(10)26/h2-8,17H,29H2,1H3/b16-8-
InChIKey
BLVOORGUPGKDLV-PXNMLYILSA-N
Synonyms
352663-03-7
(Z)methyl5amino2(2chloro6fluorobenzylidene)7(2chloro6fluorophenyl)6cyano3oxo37dihydro2Hthiazolo(32a)pyridine8carboxylate
352663037
COC(=O)C1=C2N(C(=C(C1C3=C(C=CC=C3Cl)F)C#N)N)C(=O)C(=CC4=C(C=CC=C4Cl)F)S2
InChI=1SC23H13Cl2F2N3O3Sc13323(32)1917(1813(25)53715(18)27)11(928)20(29)3021(31)16(3422(19)30)81012(24)42614(10)26h2817H29H21H3b168
methyl(2Z)5amino2(2chloro6fluorobenzylidene)7(2chloro6fluorophenyl)6cyano3oxo23dihydro7H(13)thiazolo(32a)pyridine8carboxylate
METHYL(2Z)5AMINO7(2CHLORO6FLUOROPHENYL)2((2CHLORO6FLUOROPHENYL)METHYLIDENE)6CYANO3OXO7H(13)THIAZOLO(32A)PYRIDINE8CARBOXYLATE
MFCD01878234
N#CC1=C(N)n2c(=C(C1c1c(F)cccc1Cl)C(=O)OC)sc(=Cc1c(F)cccc1Cl)c2=O
ZINC000002056679
ZINC000002056681

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Available files

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