Vitas-M small molecule compound
1-[(1S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]-9-[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]nonane-3,7-dione
Catalog ID
STL525203
SMILES O=C(CCN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)CCCC(=O)CCN1C[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 C31H40N4O4 MW 532.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H40N4O4/c36-26(10-12-32-16-22-14-24(20-32)28-6-2-8-30(38)34(28)18-22)4-1-5-27(37)11-13-33-17-23-15-25(21-33)29-7-3-9-31(39)35(29)19-23/h2-3,6-9,22-25H,1,4-5,10-21H2/t22-,23-,24+,25+/m0/s1InChIKey
CHIXQIPUSKSEFY-CXSMSNRLSA-NSynonyms
1((1S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)9((1S5S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)nonane37dione
19bis((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)nonane37dione
InChI=1SC31H40N4O4c3626(10123216221424(2032)2862830(38)34(28)1822)41527(37)11133317231525(2133)2973931(39)35(29)1923h23692225H1451021H2t222324+25+m0s1
MFCD02926267
O=C(CCN1C(C@@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)CCCC(=O)CCN1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
ZINC000104236807
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