Vitas-M small molecule compound
methyl (2Z)-5-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methylidene]-1-oxo-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate
Catalog ID
STL174180
SMILES COC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)/c(=C/c2scnc2C)/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 C20H17N3O4S2 MW 427.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O4S2/c1-10-13(28-9-21-10)8-14-17(24)23-16-11-6-4-5-7-12(11)27-20(2,22-19(23)29-14)15(16)18(25)26-3/h4-9,15-16H,1-3H3/b14-8-InChIKey
MNXRRSLVJJCJBN-ZSOIEALJSA-NSynonyms
CC1=C(SC=N1)C=C2C(=O)N3C4C(C(N=C3S2)(OC5=CC=CC=C45)C)C(=O)OC
COC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)c(=Cc2scnc2C)s1
InChI=1SC20H17N3O4S2c11013(2892110)81417(24)231611645712(11)2720(22219(23)2914)15(16)18(25)263h491516H13H3b148
methyl(2Z)5methyl2((4methyl13thiazol5yl)methylidene)1oxo12dihydro5H11H511methano(13)thiazolo(23d)(135)benzoxadiazocine13carboxylate
MFCD08553993
ZINC000105544419
ZINC000105544423
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