Vitas-M small molecule compound
ethyl 2-[(4E)-4-(2-ethoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL371646
SMILES CCOC(=O)c1sc(nc1C)N1N=C(/C(=C\c2ccccc2OCC)/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 C20H21N3O4S MW 399.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O4S/c1-5-26-16-10-8-7-9-14(16)11-15-12(3)22-23(18(15)24)20-21-13(4)17(28-20)19(25)27-6-2/h7-11H,5-6H2,1-4H3/b15-11+InChIKey
VFKTWLOCKRPSJR-RVDMUPIBSA-NSynonyms
CCOC(=O)c1sc(nc1C)N1N=C(C(=Cc2ccccc2OCC)C1=O)C
CCOC1=CC=CC=C1C=C2C(=NN(C2=O)C3=NC(=C(S3)C(=O)OCC)C)C
ETHYL2((4E)4((2ETHOXYPHENYL)METHYLIDENE)3METHYL5OXOPYRAZOL1YL)4METHYL13THIAZOLE5CARBOXYLATE
ethyl2((4E)4(2ethoxybenzylidene)3methyl5oxo45dihydro1Hpyrazol1yl)4methyl13thiazole5carboxylate
InChI=1SC20H21N3O4Sc1526161087914(16)111512(3)2223(18(15)24)202113(4)17(2820)19(25)2762h711H56H214H3b1511+
MFCD05041305
ZINC000009295999
ZINC09295999
ZINC9295999
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