Vitas-M small molecule compound
ethyl (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
STL176590
SMILES CCOC(=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 C30H26N2O5S MW 526.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26N2O5S/c1-3-35-28(34)25-26-22-11-7-8-12-23(22)37-30(25,2)31-29-32(26)27(33)24(38-29)17-19-13-15-21(16-14-19)36-18-20-9-5-4-6-10-20/h4-17,25-26H,3,18H2,1-2H3/b24-17+InChIKey
UPYUUIITFXYBBR-JJIBRWJFSA-NSynonyms
1025239-62-61025239626
CCOC(=O)C1C2C3=CC=CC=C3OC1(N=C4N2C(=O)C(=CC5=CC=C(C=C5)OCC6=CC=CC=C6)S4)C
CCOC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)c(=Cc2ccc(cc2)OCc2ccccc2)s1
ethyl(2E)2(4(benzyloxy)benzylidene)5methyl1oxo12dihydro5H11H511methano(13)thiazolo(23d)(135)benzoxadiazocine13carboxylate
InChI=1SC30H26N2O5Sc133528(34)25262211781223(22)3730(252)312932(26)27(33)24(3829)1719131521(161419)36182095461020h4172526H318H212H3b2417+
MFCD04049688
ZINC000105543240
ZINC000105543244
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