Vitas-M small molecule compound
ethyl 3-[(N-{[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonyl}-L-leucyl)amino]benzoate
Catalog ID
STL528888
SMILES CCOC(=O)c1cccc(c1)NC(=O)[C@@H](NC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)CC(C)C
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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 C27H34N4O5 MW 494.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34N4O5/c1-4-36-26(34)19-7-5-8-21(13-19)28-25(33)22(11-17(2)3)29-27(35)30-14-18-12-20(16-30)23-9-6-10-24(32)31(23)15-18/h5-10,13,17-18,20,22H,4,11-12,14-16H2,1-3H3,(H,28,33)(H,29,35)/t18-,20+,22-/m0/s1InChIKey
RSUILQLJNBJVGZ-DWLFOUALSA-NSynonyms
CCOC(=O)c1cccc(c1)NC(=O)(C@@H)(NC(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)CC(C)C
ethyl3((N(((1S5S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)carbonyl)Lleucyl)amino)benzoate
ethyl3((S)4methyl2((1R5R)8oxo234568hexahydro1H15methanopyrido(12a)(15)diazocine3carboxamido)pentanamido)benzoate
InChI=1SC27H34N4O5c143626(34)1975821(1319)2825(33)22(1117(2)3)2927(35)3014181220(1630)23961024(32)31(23)1518h5101317182022H411121416H213H3(H2833)(H2935)t1820+22m0s1
ZINC000002161175
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