Vitas-M small molecule compound

6-butyl 8-ethyl (2Z)-5-amino-2-(2-chlorobenzylidene)-7-(2-chlorophenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate

Catalog ID
STL062209
SMILES CCCCOC(=O)C1=C(N)n2c(=C(C1c1ccccc1Cl)C(=O)OCC)s/c(=C\c1ccccc1Cl)/c2=O

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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 C28H26Cl2N2O5S MW 573.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26Cl2N2O5S/c1-3-5-14-37-27(34)22-21(17-11-7-9-13-19(17)30)23(28(35)36-4-2)26-32(24(22)31)25(33)20(38-26)15-16-10-6-8-12-18(16)29/h6-13,15,21H,3-5,14,31H2,1-2H3/b20-15-
InChIKey
PHXXWIVTYBRHIE-HKWRFOASSA-N
Synonyms

(Z)6butyl8ethyl5amino2(2chlorobenzylidene)7(2chlorophenyl)3oxo37dihydro2Hthiazolo(32a)pyridine68dicarboxylate
6butyl8ethyl(2Z)5amino2(2chlorobenzylidene)7(2chlorophenyl)3oxo23dihydro7H(13)thiazolo(32a)pyridine68dicarboxylate
6OBUTYL8OETHYL(2Z)5AMINO7(2CHLOROPHENYL)2((2CHLOROPHENYL)METHYLIDENE)3OXO7H(13)THIAZOLO(32A)PYRIDINE68DICARBOXYLATE
CCCCOC(=O)C1=C(N)n2c(=C(C1c1ccccc1Cl)C(=O)OCC)sc(=Cc1ccccc1Cl)c2=O
CCCCOC(=O)C1=C(N2C(=C(C1C3=CC=CC=C3Cl)C(=O)OCC)SC(=CC4=CC=CC=C4Cl)C2=O)N
InChI=1SC28H26Cl2N2O5Sc135143727(34)2221(1711791319(17)30)23(28(35)3642)2632(24(22)31)25(33)20(3826)151610681218(16)29h6131521H351431H212H3b2015
MFCD03674346
ZINC000001889348
ZINC000001889350

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Available files

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