Vitas-M small molecule compound
(1S,5S)-N-{(2S)-1-[(2,4-dimethylphenyl)amino]-1-oxo-3-phenylpropan-2-yl}-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide
Catalog ID
STL548284
SMILES Cc1ccc(c(c1)C)NC(=O)[C@@H](NC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1ccccc1
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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 C29H32N4O3 MW 484.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N4O3/c1-19-11-12-24(20(2)13-19)30-28(35)25(15-21-7-4-3-5-8-21)31-29(36)32-16-22-14-23(18-32)26-9-6-10-27(34)33(26)17-22/h3-13,22-23,25H,14-18H2,1-2H3,(H,30,35)(H,31,36)/t22-,23+,25-/m0/s1InChIKey
MSUUEVOEKYECHJ-ARNLJNQMSA-NSynonyms
(1R5R)N((S)1((24dimethylphenyl)amino)1oxo3phenylpropan2yl)8oxo4568tetrahydro1H15methanopyrido(12a)(15)diazocine3(2H)carboxamide
(1S5S)N((2S)1((24dimethylphenyl)amino)1oxo3phenylpropan2yl)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocine3(4H)carboxamide
Cc1ccc(c(c1)C)NC(=O)(C@@H)(NC(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)Cc1ccccc1
InChI=1SC29H32N4O3c119111224(20(2)1319)3028(35)25(15217435821)3129(36)3216221423(1832)26961027(34)33(26)1722h313222325H1418H212H3(H3035)(H3136)t2223+25m0s1
ZINC000002092955
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