Vitas-M small molecule compound
(1S,5R)-3-{[(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL534892
SMILES CCCCc1cc(=O)oc2c1ccc(c2C)OCC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
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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 C27H30N2O5 MW 462.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O5/c1-3-4-6-19-12-26(32)34-27-17(2)23(10-9-21(19)27)33-16-25(31)28-13-18-11-20(15-28)22-7-5-8-24(30)29(22)14-18/h5,7-10,12,18,20H,3-4,6,11,13-16H2,1-2H3/t18-,20+/m0/s1InChIKey
VZXXKDXPNLDDQT-AZUAARDMSA-NSynonyms
(1R5S)3(2((4butyl8methyl2oxo2Hchromen7yl)oxy)acetyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5R)3(((4butyl8methyl2oxo2Hchromen7yl)oxy)acetyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
CCCCc1cc(=O)oc2c1ccc(c2C)OCC(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC27H30N2O5c1346191226(32)342717(2)23(10921(19)27)331625(31)2813181120(1528)2275824(30)29(22)1418h5710121820H346111316H212H3t1820+m0s1
MFCD08283364
ZINC000008877270
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