Vitas-M small molecule compound
(1S,5R)-3-(3-{2-hydroxy-1-[2-(2-methoxyphenyl)ethyl]-5-oxo-4,5-dihydro-1H-imidazol-4-yl}propanoyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL545431
SMILES COc1ccccc1CCN1C(=NC(C1=O)CCC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)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 C26H30N4O5 MW 478.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N4O5/c1-35-22-7-3-2-5-18(22)11-12-29-25(33)20(27-26(29)34)9-10-23(31)28-14-17-13-19(16-28)21-6-4-8-24(32)30(21)15-17/h2-8,17,19-20H,9-16H2,1H3,(H,27,34)/t17-,19+,20?/m0/s1InChIKey
UASYAUMGHXCCKC-XRRBNZLQSA-NSynonyms
(1S5R)3(3(2hydroxy1(2(2methoxyphenyl)ethyl)5oxo45dihydro1Himidazol4yl)propanoyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
InChI=1SC26H30N4O5c13522732518(22)11122925(33)20(2726(29)34)91023(31)2814171319(1628)2164824(32)30(21)1517h28171920H916H21H3(H2734)t1719+20?m0s1
ZINC000096222594
ZINC000252551112
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