Vitas-M small molecule compound
ethyl 2-[(4E)-4-(3-bromo-4-methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL378738
SMILES CCOC(=O)c1sc(nc1C)N1N=C(/C(=C\c2ccc(c(c2)Br)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 C19H18BrN3O4S MW 464.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18BrN3O4S/c1-5-27-18(25)16-11(3)21-19(28-16)23-17(24)13(10(2)22-23)8-12-6-7-15(26-4)14(20)9-12/h6-9H,5H2,1-4H3/b13-8+InChIKey
RXFIXCFHOUBBAQ-MDWZMJQESA-NSynonyms
CCOC(=O)C1=C(N=C(S1)N2C(=O)C(=CC3=CC(=C(C=C3)OC)Br)C(=N2)C)C
CCOC(=O)c1sc(nc1C)N1N=C(C(=Cc2ccc(c(c2)Br)OC)C1=O)C
ETHYL2((4E)4((3BROMO4METHOXYPHENYL)METHYLIDENE)3METHYL5OXOPYRAZOL1YL)4METHYL13THIAZOLE5CARBOXYLATE
ethyl2((4E)4(3bromo4methoxybenzylidene)3methyl5oxo45dihydro1Hpyrazol1yl)4methyl13thiazole5carboxylate
InChI=1SC19H18BrN3O4Sc152718(25)1611(3)2119(2816)2317(24)13(10(2)2223)8126715(264)14(20)912h69H5H214H3b138+
MFCD05041301
ZINC000009295996
ZINC09295996
ZINC9295996
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