Vitas-M small molecule compound
methyl [4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-4-yl)-5-bromo-2-methoxyphenoxy]acetate
Catalog ID
STL181507
SMILES COC(=O)COc1cc(Br)c(cc1OC)C1C(=C(N)NC2=C1C(=O)CC(C2)(C)C)C#N
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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 C22H24BrN3O5 MW 490.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24BrN3O5/c1-22(2)7-14-20(15(27)8-22)19(12(9-24)21(25)26-14)11-5-16(29-3)17(6-13(11)23)31-10-18(28)30-4/h5-6,19,26H,7-8,10,25H2,1-4H3InChIKey
PUEJMBTZDRVLMH-UHFFFAOYSA-NSynonyms
CC1(CC2=C(C(C(=C(N2)N)C#N)C3=CC(=C(C=C3Br)OCC(=O)OC)OC)C(=O)C1)C
InChI=1SC22H24BrN3O5c122(2)71420(15(27)822)19(12(924)21(25)2614)11516(293)17(613(11)23)311018(28)304h561926H781025H214H3
methyl(4(2amino3cyano77dimethyl5oxo145678hexahydroquinolin4yl)5bromo2methoxyphenoxy)acetate
methyl2(4(2amino3cyano77dimethyl5oxo1468tetrahydroquinolin4yl)5bromo2methoxyphenoxy)acetate
MFCD06195623
ZINC000016577794
ZINC000016577796
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