Vitas-M small molecule compound
(1S,5S)-N-{(2S)-1-[(3-methoxypropyl)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
STL538039
SMILES COCCCNC(=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 C25H32N4O4 MW 452.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32N4O4/c1-33-12-6-11-26-24(31)21(14-18-7-3-2-4-8-18)27-25(32)28-15-19-13-20(17-28)22-9-5-10-23(30)29(22)16-19/h2-5,7-10,19-21H,6,11-17H2,1H3,(H,26,31)(H,27,32)/t19-,20+,21-/m0/s1InChIKey
BBWMYTZGYJMHRX-HBMCJLEFSA-NSynonyms
(1R5R)N((S)1((3methoxypropyl)amino)1oxo3phenylpropan2yl)8oxo4568tetrahydro1H15methanopyrido(12a)(15)diazocine3(2H)carboxamide
(1S5S)N((2S)1((3methoxypropyl)amino)1oxo3phenylpropan2yl)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocine3(4H)carboxamide
COCCCNC(=O)(C@@H)(NC(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)Cc1ccccc1
InChI=1SC25H32N4O4c133126112624(31)21(14187324818)2725(32)2815191320(1728)22951023(30)29(22)1619h257101921H61117H21H3(H2631)(H2732)t1920+21m0s1
ZINC000002152183
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