Vitas-M small molecule compound

ethyl 1-[(5Z)-5-{[3-(1-benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperidine-4-carboxylate

Catalog ID
STK705225
SMILES CCOC(=O)C1CCN(CC1)C1=NC(=O)/C(=C/c2cn(nc2c2cc3c(o2)cccc3)c2ccccc2)/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 C29H26N4O4S MW 526.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N4O4S/c1-2-36-28(35)19-12-14-32(15-13-19)29-30-27(34)25(38-29)17-21-18-33(22-9-4-3-5-10-22)31-26(21)24-16-20-8-6-7-11-23(20)37-24/h3-11,16-19H,2,12-15H2,1H3/b25-17-
InChIKey
OMNOXHCOKXWFKG-UQQQWYQISA-N
Synonyms

CCOC(=O)C1CCN(CC1)C1=NC(=O)C(=Cc2cn(nc2c2cc3c(o2)cccc3)c2ccccc2)S1
CCOC(=O)C1CCN(CC1)C2=NC(=O)C(=CC3=CN(N=C3C4=CC5=CC=CC=C5O4)C6=CC=CC=C6)S2
ethyl1((5Z)5((3(1benzofuran2yl)1phenyl1Hpyrazol4yl)methylidene)4oxo45dihydro13thiazol2yl)piperidine4carboxylate
ethyl1((5Z)5((3(1benzofuran2yl)1phenylpyrazol4yl)methylidene)4oxo13thiazol2yl)piperidine4carboxylate
ETHYL1(5((3(1BENZOFURAN2YL)1PHENYL1HPYRAZOL4YL)METHYLENE)4OXO45DIHYDRO13THIAZOL2YL)4PIPERIDINECARBOXYLATE
InChI=1SC29H26N4O4Sc123628(35)19121432(151319)293027(34)25(3829)17211833(2294351022)3126(21)2416208671123(20)3724h3111619H21215H21H3b2517
MFCD04088543
ZINC000000703040
ZINC00703040
ZINC703040

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Available files

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