Vitas-M small molecule compound
methyl 2-amino-4-[5-bromo-2-(prop-2-yn-1-yloxy)phenyl]-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
Catalog ID
STL419283
SMILES C#CCOc1ccc(cc1C1C(=C(N)OC2=C1C(=O)CCC2)C(=O)OC)Br
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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 C20H18BrNO5 MW 432.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18BrNO5/c1-3-9-26-14-8-7-11(21)10-12(14)16-17-13(23)5-4-6-15(17)27-19(22)18(16)20(24)25-2/h1,7-8,10,16H,4-6,9,22H2,2H3InChIKey
NYDYSRXJOJAOHH-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(OC2=C(C1C3=C(C=CC(=C3)Br)OCC#C)C(=O)CCC2)N
InChI=1SC20H18BrNO5c13926148711(21)1012(14)161713(23)54615(17)2719(22)18(16)20(24)252h1781016H46922H22H3
methyl2amino4(5bromo2(prop2yn1yloxy)phenyl)5oxo5678tetrahydro4Hchromene3carboxylate
methyl2amino4(5bromo2prop2ynoxyphenyl)5oxo4678tetrahydrochromene3carboxylate
MFCD05026561
ZINC000002502632
ZINC000002502633
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