Vitas-M small molecule compound
methyl (2E)-2-[4-(benzyloxy)benzylidene]-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
STL176589
SMILES COC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)/c(=C\c2ccc(cc2)OCc2ccccc2)/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 C29H24N2O5S MW 512.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N2O5S/c1-29-24(27(33)34-2)25(21-10-6-7-11-22(21)36-29)31-26(32)23(37-28(31)30-29)16-18-12-14-20(15-13-18)35-17-19-8-4-3-5-9-19/h3-16,24-25H,17H2,1-2H3/b23-16+InChIKey
JUFYXIYZGZEJSM-XQNSMLJCSA-NSynonyms
1025310-16-01025310160
CC12C(C(C3=CC=CC=C3O1)N4C(=O)C(=CC5=CC=C(C=C5)OCC6=CC=CC=C6)SC4=N2)C(=O)OC
COC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)c(=Cc2ccc(cc2)OCc2ccccc2)s1
InChI=1SC29H24N2O5Sc12924(27(33)342)25(2110671122(21)3629)3126(32)23(3728(31)3029)1618121420(151318)3517198435919h3162425H17H212H3b2316+
methyl(2E)2(4(benzyloxy)benzylidene)5methyl1oxo12dihydro5H11H511methano(13)thiazolo(23d)(135)benzoxadiazocine13carboxylate
MFCD04049687
ZINC000102442136
ZINC000102442142
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