Vitas-M small molecule compound

diethyl (2E)-5-amino-7-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate

Catalog ID
STK676273
SMILES CCOC(=O)C1=c2s/c(=C/c3ccc4c(c3)OCO4)/c(=O)n2C(=C(C1c1ccc2c(c1)OCO2)C(=O)OCC)N

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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 C28H24N2O9S MW 564.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N2O9S/c1-3-34-27(32)22-21(15-6-8-17-19(11-15)39-13-37-17)23(28(33)35-4-2)26-30(24(22)29)25(31)20(40-26)10-14-5-7-16-18(9-14)38-12-36-16/h5-11,21H,3-4,12-13,29H2,1-2H3/b20-10+
InChIKey
NPCIKBAIXSRSGB-KEBDBYFISA-N
Synonyms

CCOC(=O)C1=C(N2C(=C(C1C3=CC4=C(C=C3)OCO4)C(=O)OCC)SC(=CC5=CC6=C(C=C5)OCO6)C2=O)N
CCOC(=O)C1=c2sc(=Cc3ccc4c(c3)OCO4)c(=O)n2C(=C(C1c1ccc2c(c1)OCO2)C(=O)OCC)N
diethyl(2E)5amino7(13benzodioxol5yl)2(13benzodioxol5ylmethylidene)3oxo23dihydro7H(13)thiazolo(32a)pyridine68dicarboxylate
DIETHYL(2E)5AMINO7(13BENZODIOXOL5YL)2(13BENZODIOXOL5YLMETHYLIDENE)3OXO7H(13)THIAZOLO(32A)PYRIDINE68DICARBOXYLATE
InChI=1SC28H24N2O9Sc133427(32)2221(15681719(1115)39133717)23(28(33)3542)2630(24(22)29)25(31)20(4026)1014571618(914)38123616h51121H34121329H212H3b2010+
MFCD01872876
ZINC000029749343
ZINC000029749347

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Available files

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