Vitas-M small molecule compound
ethyl 2-amino-4-[2,5-dimethyl-3-(morpholin-4-ylmethyl)phenyl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
Catalog ID
STL435828
SMILES CCOC(=O)C1=C(N)OC2=C(C1c1cc(C)cc(c1C)CN1CCOCC1)C(=O)CC(C2)(C)C
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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 C27H36N2O5 MW 468.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H36N2O5/c1-6-33-26(31)24-22(23-20(30)13-27(4,5)14-21(23)34-25(24)28)19-12-16(2)11-18(17(19)3)15-29-7-9-32-10-8-29/h11-12,22H,6-10,13-15,28H2,1-5H3InChIKey
YNVUUZWELBHOGJ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(OC2=C(C1C3=CC(=CC(=C3C)CN4CCOCC4)C)C(=O)CC(C2)(C)C)N
ethyl2amino4(25dimethyl3(morpholin4ylmethyl)phenyl)77dimethyl5oxo5678tetrahydro4Hchromene3carboxylate
ethyl2amino4(25dimethyl3(morpholin4ylmethyl)phenyl)77dimethyl5oxo68dihydro4Hchromene3carboxylate
InChI=1SC27H36N2O5c163326(31)2422(2320(30)1327(45)1421(23)3425(24)28)191216(2)1118(17(19)3)1529793210829h111222H610131528H215H3
MFCD06123615
ZINC000066089579
ZINC000066089581
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