Vitas-M small molecule compound
ethyl 2-{(4E)-4-[4-(diethylamino)benzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL371639
SMILES CCOC(=O)c1sc(nc1C)N1N=C(/C(=C\c2ccc(cc2)N(CC)CC)/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 C22H26N4O3S MW 426.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N4O3S/c1-6-25(7-2)17-11-9-16(10-12-17)13-18-14(4)24-26(20(18)27)22-23-15(5)19(30-22)21(28)29-8-3/h9-13H,6-8H2,1-5H3/b18-13+InChIKey
LLFSRCYSEBKZIZ-QGOAFFKASA-NSynonyms
CCN(CC)C1=CC=C(C=C1)C=C2C(=NN(C2=O)C3=NC(=C(S3)C(=O)OCC)C)C
CCOC(=O)c1sc(nc1C)N1N=C(C(=Cc2ccc(cc2)N(CC)CC)C1=O)C
ETHYL2((4E)4((4(DIETHYLAMINO)PHENYL)METHYLIDENE)3METHYL5OXOPYRAZOL1YL)4METHYL13THIAZOLE5CARBOXYLATE
ethyl2((4E)4(4(diethylamino)benzylidene)3methyl5oxo45dihydro1Hpyrazol1yl)4methyl13thiazole5carboxylate
ETHYL2(4((4(DIETHYLAMINO)PHENYL)METHYLENE)3METHYL5OXO(12DIAZOLINYL))4METHYL13THIAZOLE5CARBOXYLATE
InChI=1SC22H26N4O3Sc1625(72)1711916(101217)131814(4)2426(20(18)27)222315(5)19(3022)21(28)2983h913H68H215H3b1813+
MFCD05041299
ZINC000008815824
ZINC08815824
ZINC8815824
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