Vitas-M small molecule compound
(1S,5R)-3-{[(7-methyl-2-oxo-4-propyl-2H-chromen-5-yl)oxy]acetyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL534775
SMILES CCCc1cc(=O)oc2c1c(OCC(=O)N1C[C@H]3C[C@@H](C1)c1n(C3)c(=O)ccc1)cc(c2)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 C26H28N2O5 MW 448.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N2O5/c1-3-5-18-11-25(31)33-22-9-16(2)8-21(26(18)22)32-15-24(30)27-12-17-10-19(14-27)20-6-4-7-23(29)28(20)13-17/h4,6-9,11,17,19H,3,5,10,12-15H2,1-2H3/t17-,19+/m0/s1InChIKey
RNSRSWOWUULVPW-PKOBYXMFSA-NSynonyms
(1R5S)3(2((7methyl2oxo4propyl2Hchromen5yl)oxy)acetyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5R)3(((7methyl2oxo4propyl2Hchromen5yl)oxy)acetyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
CCCc1cc(=O)oc2c1c(OCC(=O)N1C(C@H)3C(C@@H)(C1)c1n(C3)c(=O)ccc1)cc(c2)C
InChI=1SC26H28N2O5c135181125(31)3322916(2)821(26(18)22)321524(30)2712171019(1427)2064723(29)28(20)1317h469111719H35101215H212H3t1719+m0s1
MFCD08283455
ZINC000008877427
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