Vitas-M small molecule compound
ethyl 1-[(5Z)-5-{[3-(3-chloro-4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperidine-4-carboxylate
Catalog ID
STK706639
SMILES CCOC(=O)C1CCN(CC1)C1=NC(=O)/C(=C/c2cn(nc2c2ccc(c(c2)Cl)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 C29H29ClN4O4S MW 565.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29ClN4O4S/c1-3-37-24-11-10-20(16-23(24)30)26-21(18-34(32-26)22-8-6-5-7-9-22)17-25-27(35)31-29(39-25)33-14-12-19(13-15-33)28(36)38-4-2/h5-11,16-19H,3-4,12-15H2,1-2H3/b25-17-InChIKey
WTIREULGAXSOTE-UQQQWYQISA-NSynonyms
(Z)ethyl1(5((3(3chloro4ethoxyphenyl)1phenyl1Hpyrazol4yl)methylene)4oxo45dihydrothiazol2yl)piperidine4carboxylate
CCOC(=O)C1CCN(CC1)C1=NC(=O)C(=Cc2cn(nc2c2ccc(c(c2)Cl)OCC)c2ccccc2)S1
CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCC(CC4)C(=O)OCC)C5=CC=CC=C5)Cl
ethyl1((5Z)5((3(3chloro4ethoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo45dihydro13thiazol2yl)piperidine4carboxylate
ETHYL1((5Z)5((3(3CHLORO4ETHOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO13THIAZOL2YL)PIPERIDINE4CARBOXYLATE
InChI=1SC29H29ClN4O4Sc133724111020(1623(24)30)2621(1834(3226)228657922)172527(35)3129(3925)33141219(131533)28(36)3842h5111619H341215H212H3b2517
MFCD04004528
ZINC000001879307
ZINC01879307
ZINC1879307
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.