Vitas-M small molecule compound
(2E)-2-[4-(difluoromethoxy)-3-methoxybenzylidene]-5-methyl-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1(2H)-one
Catalog ID
STK777937
SMILES COc1cc(ccc1OC(F)F)/C=c\1/sc2=NC3(CC(n2c1=O)c1ccccc1O3)C
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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 C22H18F2N2O4S MW 444.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18F2N2O4S/c1-22-11-14(13-5-3-4-6-15(13)30-22)26-19(27)18(31-21(26)25-22)10-12-7-8-16(29-20(23)24)17(9-12)28-2/h3-10,14,20H,11H2,1-2H3/b18-10+InChIKey
HJSIBEHRBNYIRB-VCHYOVAHSA-NSynonyms
697230-60-7(2E)2(4(difluoromethoxy)3methoxybenzylidene)5methyl5H11H511methano(13)thiazolo(23d)(135)benzoxadiazocin1(2H)one
697230607
CC12CC(C3=CC=CC=C3O1)N4C(=O)C(=CC5=CC(=C(C=C5)OC(F)F)OC)SC4=N2
COc1cc(ccc1OC(F)F)C=c1sc2=NC3(CC(n2c1=O)c1ccccc1O3)C
InChI=1SC22H18F2N2O4Sc1221114(13534615(13)3022)2619(27)18(3121(26)2522)10127816(2920(23)24)17(912)282h3101420H11H212H3b1810+
MFCD04227995
ZINC000012402549
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