Vitas-M small molecule compound
ethyl 1-[(5Z)-5-{[3-(3-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperidine-4-carboxylate
Catalog ID
STK706875
SMILES CCOC(=O)C1CCN(CC1)C1=NC(=O)/C(=C/c2cn(nc2c2cccc(c2)OCC)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 C29H30N4O4S MW 530.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N4O4S/c1-3-36-24-12-8-9-21(17-24)26-22(19-33(31-26)23-10-6-5-7-11-23)18-25-27(34)30-29(38-25)32-15-13-20(14-16-32)28(35)37-4-2/h5-12,17-20H,3-4,13-16H2,1-2H3/b25-18-InChIKey
XUZIIDJKSUAYDN-BWAHOGKJSA-NSynonyms
1009438-34-9(Z)ethyl1(5((3(3ethoxyphenyl)1phenyl1Hpyrazol4yl)methylene)4oxo45dihydrothiazol2yl)piperidine4carboxylate
1009438349
CCOC(=O)C1CCN(CC1)C1=NC(=O)C(=Cc2cn(nc2c2cccc(c2)OCC)c2ccccc2)S1
CCOC1=CC=CC(=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCC(CC4)C(=O)OCC)C5=CC=CC=C5
ethyl1((5Z)5((3(3ethoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo45dihydro13thiazol2yl)piperidine4carboxylate
ETHYL1((5Z)5((3(3ETHOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO13THIAZOL2YL)PIPERIDINE4CARBOXYLATE
InChI=1SC29H30N4O4Sc133624128921(1724)2622(1933(3126)23106571123)182527(34)3029(3825)32151320(141632)28(35)3742h5121720H341316H212H3b2518
MFCD04026030
ZINC000002375315
ZINC2375315
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.