Vitas-M small molecule compound
ethyl 2-amino-4-[3-chloro-5-methoxy-4-(prop-2-yn-1-yloxy)phenyl]-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
Catalog ID
STL415987
SMILES C#CCOc1c(Cl)cc(cc1OC)C1C(=C(N)OC2=C1C(=O)CCC2)C(=O)OCC
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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 C22H22ClNO6 MW 431.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClNO6/c1-4-9-29-20-13(23)10-12(11-16(20)27-3)17-18-14(25)7-6-8-15(18)30-21(24)19(17)22(26)28-5-2/h1,10-11,17H,5-9,24H2,2-3H3InChIKey
XZXRZBSOFNGWQE-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(OC2=C(C1C3=CC(=C(C(=C3)Cl)OCC#C)OC)C(=O)CCC2)N
ethyl2amino4(3chloro5methoxy4(prop2yn1yloxy)phenyl)5oxo5678tetrahydro4Hchromene3carboxylate
ethyl2amino4(3chloro5methoxy4prop2ynoxyphenyl)5oxo4678tetrahydrochromene3carboxylate
InChI=1SC22H22ClNO6c149292013(23)1012(1116(20)273)171814(25)76815(18)3021(24)19(17)22(26)2852h1101117H5924H223H3
MFCD04151863
ZINC000002179323
ZINC000002179324
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