Vitas-M small molecule compound
methyl (2E,5S)-2-(4-methoxybenzylidene)-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
STK093605
SMILES COC(=O)C1C2c3ccccc3O[C@]1(C)N=c1n2c(=O)/c(=C\c2ccc(cc2)OC)/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 C23H20N2O5S MW 436.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N2O5S/c1-23-18(21(27)29-3)19(15-6-4-5-7-16(15)30-23)25-20(26)17(31-22(25)24-23)12-13-8-10-14(28-2)11-9-13/h4-12,18-19H,1-3H3/b17-12+/t18?,19?,23-/m0/s1InChIKey
VHLUQZNUIQOUOE-QJFMXBHISA-NSynonyms
CC12C(C(C3=CC=CC=C3O1)N4C(=O)C(=CC5=CC=C(C=C5)OC)SC4=N2)C(=O)OC
COC(=O)C1C2c3ccccc3O(C@)1(C)N=c1n2c(=O)c(=Cc2ccc(cc2)OC)s1
InChI=1SC23H20N2O5Sc12318(21(27)293)19(15645716(15)3023)2520(26)17(3122(25)2423)121381014(282)11913h4121819H13H3b1712+t18?19?23m0s1
METHYL(2E5S)2(4METHOXYBENZYLIDENE)5METHYL1OXO12DIHYDRO5H11H511METHANO(13)THIAZOLO(23D)(135)BENZOXADIAZOCINE13CARBOXYLATE
MFCD02031198
STK093605
ZINC000009730547
ZINC000013361633
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