Vitas-M small molecule compound

ethyl (2E)-5-amino-3-oxo-6-(phenylsulfonyl)-7-(pyridin-3-yl)-2-(pyridin-3-ylmethylidene)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate

Catalog ID
STL015929
SMILES CCOC(=O)C1=c2s/c(=C/c3cccnc3)/c(=O)n2C(=C(C1c1cccnc1)S(=O)(=O)c1ccccc1)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 C27H22N4O5S2 MW 546.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N4O5S2/c1-2-36-27(33)22-21(18-9-7-13-30-16-18)23(38(34,35)19-10-4-3-5-11-19)24(28)31-25(32)20(37-26(22)31)14-17-8-6-12-29-15-17/h3-16,21H,2,28H2,1H3/b20-14+
InChIKey
MZGIALHUGWOBJV-XSFVSMFZSA-N
Synonyms

(Z)ethyl5amino3oxo6(phenylsulfonyl)7(pyridin3yl)2(pyridin3ylmethylene)37dihydro2Hthiazolo(32a)pyridine8carboxylate
CCOC(=O)C1=C2N(C(=C(C1C3=CN=CC=C3)S(=O)(=O)C4=CC=CC=C4)N)C(=O)C(=CC5=CN=CC=C5)S2
CCOC(=O)C1=c2sc(=Cc3cccnc3)c(=O)n2C(=C(C1c1cccnc1)S(=O)(=O)c1ccccc1)N
ethyl(2E)5amino3oxo6(phenylsulfonyl)7(pyridin3yl)2(pyridin3ylmethylidene)23dihydro7H(13)thiazolo(32a)pyridine8carboxylate
ethyl(2E)5amino6(benzenesulfonyl)3oxo7pyridin3yl2(pyridin3ylmethylidene)7H(13)thiazolo(32a)pyridine8carboxylate
InChI=1SC27H22N4O5S2c123627(33)2221(189713301618)23(38(3435)19104351119)24(28)3125(32)20(3726(22)31)14178612291517h31621H228H21H3b2014+
MFCD03247933
ZINC000103634471
ZINC000103634477

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.