Vitas-M small molecule compound
ethyl 1-{(5E)-5-[(1,3-diphenyl-1H-pyrazol-4-yl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}piperidine-4-carboxylate
Catalog ID
STK814462
SMILES CCOC(=O)C1CCN(CC1)C1=NC(=O)/C(=C\c2cn(nc2c2ccccc2)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 C27H26N4O3S MW 486.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4O3S/c1-2-34-26(33)20-13-15-30(16-14-20)27-28-25(32)23(35-27)17-21-18-31(22-11-7-4-8-12-22)29-24(21)19-9-5-3-6-10-19/h3-12,17-18,20H,2,13-16H2,1H3/b23-17+InChIKey
WZLDMQSUFQQCNV-HAVVHWLPSA-NSynonyms
623933-17-5623933175
CCOC(=O)C1CCN(CC1)C1=NC(=O)C(=Cc2cn(nc2c2ccccc2)c2ccccc2)S1
CCOC(=O)C1CCN(CC1)C2=NC(=O)C(=CC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)S2
ethyl1((5E)5((13diphenyl1Hpyrazol4yl)methylidene)4oxo45dihydro13thiazol2yl)piperidine4carboxylate
ETHYL1((5E)5((13DIPHENYLPYRAZOL4YL)METHYLIDENE)4OXO13THIAZOL2YL)PIPERIDINE4CARBOXYLATE
InChI=1SC27H26N4O3Sc123426(33)20131530(161420)272825(32)23(3527)17211831(22117481222)2924(21)1995361019h312171820H21316H21H3b2317+
MFCD04442191
ZINC000016731383
ZINC16731383
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