Vitas-M small molecule compound
N-[2-(3,4-dihydroxyphenyl)ethyl]-3-(2-hydroxy-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-3-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
Catalog ID
STL543442
SMILES COc1cc(cc2c1OCCO2)C(c1c(O)nc2n(c1=O)cccc2)CC(=O)NCCc1ccc(c(c1)O)O
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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 C28H27N3O8 MW 533.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O8/c1-37-21-13-17(14-22-26(21)39-11-10-38-22)18(25-27(35)30-23-4-2-3-9-31(23)28(25)36)15-24(34)29-8-7-16-5-6-19(32)20(33)12-16/h2-6,9,12-14,18,32-33,35H,7-8,10-11,15H2,1H3,(H,29,34)InChIKey
HLXXXQCFVKAISD-UHFFFAOYSA-NSynonyms
1630847-77-6~(N)(2(34dihydroxyphenyl)ethyl)3(2hydroxy4oxopyrido(12a)pyrimidin3yl)3(5methoxy23dihydro14benzodioxin7yl)propanamide
135639666
1630847776
InChI=1SC28H27N3O8c137211317(142226(21)3911103822)18(2527(35)3023423931(23)28(25)36)1524(34)2987165619(32)20(33)1216h269121418323335H78101115H21H3(H2934)
MFCD28349473
N(2(34dihydroxyphenyl)ethyl)3(2hydroxy4oxo4Hpyrido(12a)pyrimidin3yl)3(8methoxy23dihydro14benzodioxin6yl)propanamide
N(34DIHYDROXYPHENETHYL)3(2HYDROXY4OXO4HPYRIDO(12A)PYRIMIDIN3YL)3(8METHOXY23DIHYDROBENZO(B)(14)DIOXIN6YL)PROPANAMIDE
ZINC000217772611
ZINC000217772689
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