Vitas-M small molecule compound
methyl 4-[3-bromo-5-ethoxy-4-(prop-2-yn-1-yloxy)phenyl]-2-methyl-5-oxo-4,5-dihydro-1H-indeno[1,2-b]pyridine-3-carboxylate
Catalog ID
STL374263
SMILES C#CCOc1c(Br)cc(cc1OCC)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 C26H22BrNO5 MW 508.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22BrNO5/c1-5-11-33-25-18(27)12-15(13-19(25)32-6-2)21-20(26(30)31-4)14(3)28-23-16-9-7-8-10-17(16)24(29)22(21)23/h1,7-10,12-13,21,28H,6,11H2,2-4H3InChIKey
DOYNEXXSROFVSZ-UHFFFAOYSA-NSynonyms
CCOC1=C(C(=CC(=C1)C2C3=C(C4=CC=CC=C4C3=O)NC(=C2C(=O)OC)C)Br)OCC#C
InChI=1SC26H22BrNO5c1511332518(27)1215(1319(25)3262)2120(26(30)314)14(3)2823169781017(16)24(29)22(21)23h171012132128H611H224H3
methyl4(3bromo5ethoxy4(prop2yn1yloxy)phenyl)2methyl5oxo45dihydro1Hindeno(12b)pyridine3carboxylate
METHYL4(3BROMO5ETHOXY4PROP2YNOXYPHENYL)2METHYL5OXO14DIHYDROINDENO(12B)PYRIDINE3CARBOXYLATE
METHYL4(5BROMO3ETHOXY4PROP2YNYLOXYPHENYL)2METHYL5OXO14DIHYDROINDENO(32B)PYRIDINE3CARBOXYLATE
MFCD02228810
ZINC000006195863
ZINC000006195864
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