Vitas-M small molecule compound
ethyl 2-[(4E)-4-(2,4-diethoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL378737
SMILES CCOc1ccc(c(c1)OCC)/C=C/1\C(=NN(C1=O)c1nc(c(s1)C(=O)OCC)C)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 C22H25N3O5S MW 443.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O5S/c1-6-28-16-10-9-15(18(12-16)29-7-2)11-17-13(4)24-25(20(17)26)22-23-14(5)19(31-22)21(27)30-8-3/h9-12H,6-8H2,1-5H3/b17-11+InChIKey
GQRQSLYKDXHWPP-GZTJUZNOSA-NSynonyms
CCOC1=CC(=C(C=C1)C=C2C(=NN(C2=O)C3=NC(=C(S3)C(=O)OCC)C)C)OCC
CCOc1ccc(c(c1)OCC)C=C1C(=NN(C1=O)c1nc(c(s1)C(=O)OCC)C)C
ETHYL2((4E)4((24DIETHOXYPHENYL)METHYLIDENE)3METHYL5OXOPYRAZOL1YL)4METHYL13THIAZOLE5CARBOXYLATE
ethyl2((4E)4(24diethoxybenzylidene)3methyl5oxo45dihydro1Hpyrazol1yl)4methyl13thiazole5carboxylate
ETHYL2(4((24DIETHOXYPHENYL)METHYLENE)3METHYL5OXO(12DIAZOLINYL))4METHYL13THIAZOLE5CARBOXYLATE
InChI=1SC22H25N3O5Sc16281610915(18(1216)2972)111713(4)2425(20(17)26)222314(5)19(3122)21(27)3083h912H68H215H3b1711+
MFCD05041300
ZINC000008815825
ZINC08815825
ZINC8815825
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