Vitas-M small molecule compound
(1S,5R)-3-[3-(5,9-dimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)propanoyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL533978
SMILES O=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)CCc1c(=O)oc2c(c1C)cc1c(c2C)occ1c1ccccc1
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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 C33H30N2O5 MW 534.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30N2O5/c1-19-24(11-12-29(36)34-15-21-13-23(17-34)28-9-6-10-30(37)35(28)16-21)33(38)40-32-20(2)31-26(14-25(19)32)27(18-39-31)22-7-4-3-5-8-22/h3-10,14,18,21,23H,11-13,15-17H2,1-2H3/t21-,23+/m0/s1InChIKey
WBFODTMGDIEMJU-JTHBVZDNSA-NSynonyms
(1R5S)3(3(59dimethyl7oxo3phenyl7Hfuro(32g)chromen6yl)propanoyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5R)3(3(59dimethyl7oxo3phenyl7Hfuro(32g)chromen6yl)propanoyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
InChI=1SC33H30N2O5c11924(111229(36)3415211323(1734)28961030(37)35(28)1621)33(38)403220(2)3126(1425(19)32)27(183931)227435822h31014182123H11131517H212H3t2123+m0s1
MFCD08283813
O=C(N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)CCc1c(=O)oc2c(c1C)cc1c(c2C)occ1c1ccccc1
ZINC000070708028
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