Vitas-M small molecule compound
(1S,5R)-3-{3-[1-(3,4-dimethoxybenzyl)-2-hydroxy-5-oxo-4,5-dihydro-1H-imidazol-4-yl]propanoyl}-9-nitro-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL579124
SMILES COc1ccc(cc1OC)CN1C(=NC(C1=O)CCC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)c(cc1)[N+](=O)[O-])O
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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 C26H29N5O8 MW 539.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N5O8/c1-38-21-7-3-15(10-22(21)39-2)12-30-24(33)18(27-26(30)35)4-8-23(32)28-11-16-9-17(14-28)19-5-6-20(31(36)37)25(34)29(19)13-16/h3,5-7,10,16-18H,4,8-9,11-14H2,1-2H3,(H,27,35)/t16-,17+,18?/m0/s1InChIKey
QZAZFSOVUULJDW-MYFVLZFPSA-NSynonyms
(1S5R)3(3(1(34dimethoxybenzyl)2hydroxy5oxo45dihydro1Himidazol4yl)propanoyl)9nitro123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
InChI=1SC26H29N5O8c138217315(1022(21)392)123024(33)18(2726(30)35)4823(32)281116917(1428)195620(31(36)37)25(34)29(19)1316h357101618H4891114H212H3(H2735)t1617+18?m0s1
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