Vitas-M small molecule compound
5-methoxy-4,8,8-trimethyl-3-{3-oxo-3-[4-(pyrimidin-2-yl)piperazin-1-yl]propyl}-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-2-one
Catalog ID
STL235277
SMILES COc1cc2OC(C)(C)CCc2c2c1c(C)c(CCC(=O)N1CCN(CC1)c1ncccn1)c(=O)o2
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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 C27H32N4O5 MW 492.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N4O5/c1-17-18(6-7-22(32)30-12-14-31(15-13-30)26-28-10-5-11-29-26)25(33)35-24-19-8-9-27(2,3)36-20(19)16-21(34-4)23(17)24/h5,10-11,16H,6-9,12-15H2,1-4H3InChIKey
JLXMEXHLWXCJME-UHFFFAOYSA-NSynonyms
1014063-97-81014063978
5methoxy488trimethyl3(3oxo3(4(pyrimidin2yl)piperazin1yl)propyl)910dihydro2H8Hpyrano(23f)chromen2one
5methoxy488trimethyl3(3oxo3(4(pyrimidin2yl)piperazin1yl)propyl)910dihydropyrano(23f)chromen2(8H)one
5methoxy488trimethyl3(3oxo3(4pyrimidin2ylpiperazin1yl)propyl)910dihydropyrano(23h)chromen2one
CC1=C(C(=O)OC2=C3CCC(OC3=CC(=C12)OC)(C)C)CCC(=O)N4CCN(CC4)C5=NC=CC=N5
InChI=1SC27H32N4O5c11718(6722(32)30121431(151330)2628105112926)25(33)3524198927(23)3620(19)1621(344)23(17)24h5101116H691215H214H3
MFCD08743626
ZINC000009134510
ZINC09134510
ZINC9134510
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