Vitas-M small molecule compound
ethyl 2-{(4E)-4-[4-(2-methoxy-2-oxoethoxy)benzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK019406
SMILES CCOC(=O)c1sc(nc1C)N1N=C(/C(=C\c2ccc(cc2)OCC(=O)OC)/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 C21H21N3O6S MW 443.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O6S/c1-5-29-20(27)18-13(3)22-21(31-18)24-19(26)16(12(2)23-24)10-14-6-8-15(9-7-14)30-11-17(25)28-4/h6-10H,5,11H2,1-4H3/b16-10+InChIKey
AKBGLCIGQGUMLW-MHWRWJLKSA-NSynonyms
CCOC(=O)C1=C(N=C(S1)N2C(=O)C(=CC3=CC=C(C=C3)OCC(=O)OC)C(=N2)C)C
CCOC(=O)c1sc(nc1C)N1N=C(C(=Cc2ccc(cc2)OCC(=O)OC)C1=O)C
ETHYL2((4E)4((4(2METHOXY2OXOETHOXY)PHENYL)METHYLIDENE)3METHYL5OXOPYRAZOL1YL)4METHYL13THIAZOLE5CARBOXYLATE
ETHYL2((4E)4(4(2METHOXY2OXOETHOXY)BENZYLIDENE)3METHYL5OXO45DIHYDRO1HPYRAZOL1YL)4METHYL13THIAZOLE5CARBOXYLATE
InChI=1SC21H21N3O6Sc152920(27)1813(3)2221(3118)2419(26)16(12(2)2324)10146815(9714)301117(25)284h610H511H214H3b1610+
METHYL2(4((1(5(ETHOXYCARBONYL)4METHYL(13THIAZOL2YL))3METHYL5OXO12DIAZOLIN4YLIDENE)METHYL)PHENOXY)ACETATE
MFCD03725612
STK019406
ZINC000008815823
ZINC08815823
ZINC8815823
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.