Vitas-M small molecule compound

ethyl 2-[(4E)-4-{4-[(3-fluorobenzyl)oxy]benzylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate

Catalog ID
STK092321
SMILES CCOC(=O)c1sc(nc1C)N1N=C(/C(=C\c2ccc(cc2)OCc2cccc(c2)F)/C1=O)C

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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 C25H22FN3O4S MW 479.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22FN3O4S/c1-4-32-24(31)22-16(3)27-25(34-22)29-23(30)21(15(2)28-29)13-17-8-10-20(11-9-17)33-14-18-6-5-7-19(26)12-18/h5-13H,4,14H2,1-3H3/b21-13+
InChIKey
OVXYKJMUESRNFE-FYJGNVAPSA-N
Synonyms

CCOC(=O)C1=C(N=C(S1)N2C(=O)C(=CC3=CC=C(C=C3)OCC4=CC(=CC=C4)F)C(=N2)C)C
CCOC(=O)c1sc(nc1C)N1N=C(C(=Cc2ccc(cc2)OCc2cccc(c2)F)C1=O)C
ETHYL2((4E)4((4((3FLUOROPHENYL)METHOXY)PHENYL)METHYLIDENE)3METHYL5OXOPYRAZOL1YL)4METHYL13THIAZOLE5CARBOXYLATE
ETHYL2((4E)4(4((3FLUOROBENZYL)OXY)BENZYLIDENE)3METHYL5OXO45DIHYDRO1HPYRAZOL1YL)4METHYL13THIAZOLE5CARBOXYLATE
ETHYL2(4((4((3FLUOROPHENYL)METHOXY)PHENYL)METHYLENE)3METHYL5OXO(12DIAZOLINYL))4METHYL13THIAZOLE5CARBOXYLATE
InChI=1SC25H22FN3O4Sc143224(31)2216(3)2725(3422)2923(30)21(15(2)2829)131781020(11917)33141865719(26)1218h513H414H213H3b2113+
MFCD03271181
STK092321
ZINC000008815828
ZINC08815828
ZINC8815828

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Available files

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