Vitas-M small molecule compound
methyl 4-[3-bromo-5-methoxy-4-(prop-2-en-1-yloxy)phenyl]-2-methyl-5-oxo-4,5-dihydro-1H-indeno[1,2-b]pyridine-3-carboxylate
Catalog ID
STL374249
SMILES C=CCOc1c(Br)cc(cc1OC)C1C(=C(C)NC2=C1C(=O)c1c2cccc1)C(=O)OC
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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 C25H22BrNO5 MW 496.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22BrNO5/c1-5-10-32-24-17(26)11-14(12-18(24)30-3)20-19(25(29)31-4)13(2)27-22-15-8-6-7-9-16(15)23(28)21(20)22/h5-9,11-12,20,27H,1,10H2,2-4H3InChIKey
XHKLSMVEUWRKEA-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)C3=CC=CC=C3C2=O)C4=CC(=C(C(=C4)Br)OCC=C)OC)C(=O)OC
InChI=1SC25H22BrNO5c1510322417(26)1114(1218(24)303)2019(25(29)314)13(2)272215867916(15)23(28)21(20)22h5911122027H110H224H3
methyl4(3bromo5methoxy4(prop2en1yloxy)phenyl)2methyl5oxo45dihydro1Hindeno(12b)pyridine3carboxylate
METHYL4(3BROMO5METHOXY4PROP2ENOXYPHENYL)2METHYL5OXO14DIHYDROINDENO(12B)PYRIDINE3CARBOXYLATE
MFCD02219258
ZINC000002961851
ZINC000019794366
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