Vitas-M small molecule compound
(2E)-3-{3-[(4-chloro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-1-(1-ethyl-3-methyl-1H-pyrazol-4-yl)prop-2-en-1-one
Catalog ID
STK309607
SMILES COc1ccc(cc1Cn1ncc(c1)Cl)/C=C/C(=O)c1cn(nc1C)CC
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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 C20H21ClN4O2 MW 384.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21ClN4O2/c1-4-24-13-18(14(2)23-24)19(26)7-5-15-6-8-20(27-3)16(9-15)11-25-12-17(21)10-22-25/h5-10,12-13H,4,11H2,1-3H3/b7-5+InChIKey
JVMFKYZPQGWSHS-FNORWQNLSA-NSynonyms
1005678-73-8(2E)3(3((4chloro1Hpyrazol1yl)methyl)4methoxyphenyl)1(1ethyl3methyl1Hpyrazol4yl)prop2en1one
(E)3(3((4CHLOROPYRAZOL1YL)METHYL)4METHOXYPHENYL)1(1ETHYL3METHYLPYRAZOL4YL)PROP2EN1ONE
1005678738
CCN1C=C(C(=N1)C)C(=O)C=CC2=CC(=C(C=C2)OC)CN3C=C(C=N3)Cl
COc1ccc(cc1Cn1ncc(c1)Cl)C=CC(=O)c1cn(nc1C)CC
InChI=1SC20H21ClN4O2c14241318(14(2)2324)19(26)75156820(273)16(915)11251217(21)102225h5101213H411H213H3b75+
MFCD04133816
ZINC000006636592
ZINC06636592
ZINC6636592
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