Vitas-M small molecule compound
methyl (2E)-2-(3,5-dichloro-2-hydroxybenzylidene)-5-methyl-1-oxo-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate
Catalog ID
STK870324
SMILES COC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)/c(=C\c2cc(Cl)cc(c2O)Cl)/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 C22H16Cl2N2O5S MW 491.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16Cl2N2O5S/c1-22-16(20(29)30-2)17(12-5-3-4-6-14(12)31-22)26-19(28)15(32-21(26)25-22)8-10-7-11(23)9-13(24)18(10)27/h3-9,16-17,27H,1-2H3/b15-8+InChIKey
LFMORCUBRZHHQC-OVCLIPMQSA-NSynonyms
CC12C(C(C3=CC=CC=C3O1)N4C(=O)C(=CC5=CC(=CC(=C5O)Cl)Cl)SC4=N2)C(=O)OC
COC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)c(=Cc2cc(Cl)cc(c2O)Cl)s1
InChI=1SC22H16Cl2N2O5Sc12216(20(29)302)17(12534614(12)3122)2619(28)15(3221(26)2522)810711(23)913(24)18(10)27h39161727H12H3b158+
methyl(2E)2(35dichloro2hydroxybenzylidene)5methyl1oxo12dihydro5H11H511methano(13)thiazolo(23d)(135)benzoxadiazocine13carboxylate
MFCD15199517
ZINC000102813642
ZINC000102813647
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