Vitas-M small molecule compound
propan-2-yl 4-{(4E)-4-[3-ethoxy-4-(prop-2-yn-1-yloxy)benzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoate
Catalog ID
STK393839
SMILES C#CCOc1ccc(cc1OCC)/C=C/1\C(=NN(C1=O)c1ccc(cc1)C(=O)OC(C)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 C26H26N2O5 MW 446.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O5/c1-6-14-32-23-13-8-19(16-24(23)31-7-2)15-22-18(5)27-28(25(22)29)21-11-9-20(10-12-21)26(30)33-17(3)4/h1,8-13,15-17H,7,14H2,2-5H3/b22-15+InChIKey
DVBOLDLPAUFMDF-PXLXIMEGSA-NSynonyms
C#CCOc1ccc(cc1OCC)C=C1C(=NN(C1=O)c1ccc(cc1)C(=O)OC(C)C)C
CCOC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)C(=O)OC(C)C)C)OCC#C
InChI=1SC26H26N2O5c1614322313819(1624(23)3172)152218(5)2728(25(22)29)2111920(101221)26(30)3317(3)4h18131517H714H225H3b2215+
METHYLETHYL4(4((3ETHOXY4PROP2YNYLOXYPHENYL)METHYLENE)3METHYL5OXO12DIAZOLINYL)BENZOATE
MFCD02909137
PROPAN2YL4((4E)4((3ETHOXY4PROP2YNOXYPHENYL)METHYLIDENE)3METHYL5OXOPYRAZOL1YL)BENZOATE
propan2yl4((4E)4(3ethoxy4(prop2yn1yloxy)benzylidene)3methyl5oxo45dihydro1Hpyrazol1yl)benzoate
ZINC000008722488
ZINC08722488
ZINC8722488
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