Vitas-M small molecule compound

8-ethyl 6-methyl (2E)-5-amino-2-(4-hydroxybenzylidene)-7-(4-hydroxyphenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate

Catalog ID
STK863590
SMILES CCOC(=O)C1=c2s/c(=C/c3ccc(cc3)O)/c(=O)n2C(=C(C1c1ccc(cc1)O)C(=O)OC)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 C25H22N2O7S MW 494.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O7S/c1-3-34-25(32)20-18(14-6-10-16(29)11-7-14)19(24(31)33-2)21(26)27-22(30)17(35-23(20)27)12-13-4-8-15(28)9-5-13/h4-12,18,28-29H,3,26H2,1-2H3/b17-12+
InChIKey
XAJVVINKSLDORG-SFQUDFHCSA-N
Synonyms

(Z)8ethyl6methyl5amino2(4hydroxybenzylidene)7(4hydroxyphenyl)3oxo37dihydro2Hthiazolo(32a)pyridine68dicarboxylate
8ethyl6methyl(2E)5amino2(4hydroxybenzylidene)7(4hydroxyphenyl)3oxo23dihydro7H(13)thiazolo(32a)pyridine68dicarboxylate
8Oethyl6Omethyl(2E)5amino7(4hydroxyphenyl)2((4hydroxyphenyl)methylidene)3oxo7H(13)thiazolo(32a)pyridine68dicarboxylate
CCOC(=O)C1=C2N(C(=C(C1C3=CC=C(C=C3)O)C(=O)OC)N)C(=O)C(=CC4=CC=C(C=C4)O)S2
CCOC(=O)C1=c2sc(=Cc3ccc(cc3)O)c(=O)n2C(=C(C1c1ccc(cc1)O)C(=O)OC)N
InChI=1SC25H22N2O7Sc133425(32)2018(1461016(29)11714)19(24(31)332)21(26)2722(30)17(3523(20)27)12134815(28)9513h412182829H326H212H3b1712+
MFCD03251067
ZINC000004461430
ZINC000004461434

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Available files

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