Vitas-M small molecule compound
ethyl 2-amino-4-[3,5-dichloro-4-(prop-2-yn-1-yloxy)phenyl]-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
Catalog ID
STL415988
SMILES C#CCOc1c(Cl)cc(cc1Cl)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 C21H19Cl2NO5 MW 436.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19Cl2NO5/c1-3-8-28-19-12(22)9-11(10-13(19)23)16-17-14(25)6-5-7-15(17)29-20(24)18(16)21(26)27-4-2/h1,9-10,16H,4-8,24H2,2H3InChIKey
OJFPSMBTSAXJSN-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(OC2=C(C1C3=CC(=C(C(=C3)Cl)OCC#C)Cl)C(=O)CCC2)N
ethyl2amino4(35dichloro4(prop2yn1yloxy)phenyl)5oxo5678tetrahydro4Hchromene3carboxylate
ethyl2amino4(35dichloro4prop2ynoxyphenyl)5oxo4678tetrahydrochromene3carboxylate
InChI=1SC21H19Cl2NO5c138281912(22)911(1013(19)23)161714(25)65715(17)2920(24)18(16)21(26)2742h191016H4824H22H3
MFCD04151844
ZINC000002179307
ZINC000002179308
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