Vitas-M small molecule compound
methyl (2E)-2-(2-chlorobenzylidene)-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
STK870325
SMILES COC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)/c(=C\c2ccccc2Cl)/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 C22H17ClN2O4S MW 440.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17ClN2O4S/c1-22-17(20(27)28-2)18(13-8-4-6-10-15(13)29-22)25-19(26)16(30-21(25)24-22)11-12-7-3-5-9-14(12)23/h3-11,17-18H,1-2H3/b16-11+InChIKey
UZOQQYAEEPJMRW-LFIBNONCSA-NSynonyms
CC12C(C(C3=CC=CC=C3O1)N4C(=O)C(=CC5=CC=CC=C5Cl)SC4=N2)C(=O)OC
COC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)c(=Cc2ccccc2Cl)s1
InChI=1SC22H17ClN2O4Sc12217(20(27)282)18(138461015(13)2922)2519(26)16(3021(25)2422)1112735914(12)23h3111718H12H3b1611+
methyl(2E)2(2chlorobenzylidene)5methyl1oxo12dihydro5H11H511methano(13)thiazolo(23d)(135)benzoxadiazocine13carboxylate
MFCD15147846
ZINC000102813685
ZINC000102813687
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