Vitas-M small molecule compound
(1S,5R)-3-[(5,7-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL534887
SMILES COc1cc(OC)c2c(c1)oc(=O)c(c2C)CC(=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 C25H26N2O6 MW 450.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N2O6/c1-14-18(25(30)33-21-9-17(31-2)8-20(32-3)24(14)21)10-23(29)26-11-15-7-16(13-26)19-5-4-6-22(28)27(19)12-15/h4-6,8-9,15-16H,7,10-13H2,1-3H3/t15-,16+/m0/s1InChIKey
BATXDKWSIHEAPU-JKSUJKDBSA-NSynonyms
(1R5S)3(2(57dimethoxy4methyl2oxo2Hchromen3yl)acetyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5R)3((57dimethoxy4methyl2oxo2Hchromen3yl)acetyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
COc1cc(OC)c2c(c1)oc(=O)c(c2C)CC(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC25H26N2O6c11418(25(30)3321917(312)820(323)24(14)21)1023(29)261115716(1326)1954622(28)27(19)1215h46891516H71013H213H3t1516+m0s1
MFCD08283352
ZINC000012890644
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