Vitas-M small molecule compound
methyl (2Z)-5-amino-2-(5-bromo-2-fluorobenzylidene)-7-(5-bromo-2-fluorophenyl)-6-cyano-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
Catalog ID
STK695876
SMILES N#CC1=C(N)n2c(=C(C1c1cc(Br)ccc1F)C(=O)OC)s/c(=C\c1cc(Br)ccc1F)/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 C23H13Br2F2N3O3S MW 609.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H13Br2F2N3O3S/c1-33-23(32)19-18(13-8-12(25)3-5-16(13)27)14(9-28)20(29)30-21(31)17(34-22(19)30)7-10-6-11(24)2-4-15(10)26/h2-8,18H,29H2,1H3/b17-7-InChIKey
MCWJIBCGCCNHGN-IDUWFGFVSA-NSynonyms
(E)methyl5amino2(5bromo2fluorobenzylidene)7(5bromo2fluorophenyl)6cyano3oxo37dihydro2Hthiazolo(32a)pyridine8carboxylate
COC(=O)C1=C2N(C(=C(C1C3=C(C=CC(=C3)Br)F)C#N)N)C(=O)C(=CC4=C(C=CC(=C4)Br)F)S2
InChI=1SC23H13Br2F2N3O3Sc13323(32)1918(13812(25)3516(13)27)14(928)20(29)3021(31)17(3422(19)30)710611(24)2415(10)26h2818H29H21H3b177
METHYL(2Z)5AMINO2(5BROMO2FLUOROBENZYLIDENE)7(5BROMO2FLUOROPHENYL)6CYANO3OXO23DIHYDRO7H(13)THIAZOLO(32A)PYRIDINE8CARBOXYLATE
methyl(2Z)5amino7(5bromo2fluorophenyl)2((5bromo2fluorophenyl)methylidene)6cyano3oxo7H(13)thiazolo(32a)pyridine8carboxylate
MFCD01197822
N#CC1=C(N)n2c(=C(C1c1cc(Br)ccc1F)C(=O)OC)sc(=Cc1cc(Br)ccc1F)c2=O
ZINC000097968616
ZINC000097968617
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