Vitas-M small molecule compound
[5-(3-chloro-4-ethoxyphenyl)-1H-pyrazol-4-yl](3,4-dihydroisoquinolin-2(1H)-yl)methanone
Catalog ID
STL184231
SMILES CCOc1ccc(cc1Cl)c1[nH]ncc1C(=O)N1CCc2c(C1)cccc2
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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 C21H20ClN3O2 MW 381.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN3O2/c1-2-27-19-8-7-15(11-18(19)22)20-17(12-23-24-20)21(26)25-10-9-14-5-3-4-6-16(14)13-25/h3-8,11-12H,2,9-10,13H2,1H3,(H,23,24)InChIKey
JXQCFENEUJFCKC-UHFFFAOYSA-NSynonyms
(5(3chloro4ethoxyphenyl)1Hpyrazol4yl)(34dihydro1Hisoquinolin2yl)methanone
(5(3chloro4ethoxyphenyl)1Hpyrazol4yl)(34dihydroisoquinolin2(1H)yl)methanone
CCOC1=C(C=C(C=C1)C2=C(C=NN2)C(=O)N3CCC4=CC=CC=C4C3)Cl
CCOc1ccc(cc1Cl)c1(nH)ncc1C(=O)N1CCc2c(C1)cccc2
InChI=1SC21H20ClN3O2c1227198715(1118(19)22)2017(12232420)21(26)2510914534616(14)1325h381112H291013H21H3(H2324)
MFCD22386373
ZINC000072328706
ZINC72328706
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