Vitas-M small molecule compound
(1S,5S)-N-{(2S)-1-[(2,3-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
STL542595
SMILES O=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)N[C@H](C(=O)Nc1cccc(c1C)C)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/c1-19-8-6-11-24(20(19)2)30-28(35)25(15-21-9-4-3-5-10-21)31-29(36)32-16-22-14-23(18-32)26-12-7-13-27(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
IXBLIGMTJLJYAR-ARNLJNQMSA-NSynonyms
(1R5R)N((S)1((23dimethylphenyl)amino)1oxo3phenylpropan2yl)8oxo4568tetrahydro1H15methanopyrido(12a)(15)diazocine3(2H)carboxamide
(1S5S)N((2S)1((23dimethylphenyl)amino)1oxo3phenylpropan2yl)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocine3(4H)carboxamide
InChI=1SC29H32N4O3c119861124(20(19)2)3028(35)25(152194351021)3129(36)3216221423(1832)261271327(34)33(26)1722h313222325H1418H212H3(H3035)(H3136)t2223+25m0s1
O=C(N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)N(C@H)(C(=O)Nc1cccc(c1C)C)Cc1ccccc1
ZINC000002095752
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