Vitas-M small molecule compound

(1S,5S)-N-[(2S)-1-{[2-(furan-2-yl)ethyl]amino}-3-methyl-1-oxobutan-2-yl]-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide

Catalog ID
STL545213
SMILES O=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)N[C@H](C(=O)NCCc1ccco1)C(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 C23H30N4O4 MW 426.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H30N4O4/c1-15(2)21(22(29)24-9-8-18-5-4-10-31-18)25-23(30)26-12-16-11-17(14-26)19-6-3-7-20(28)27(19)13-16/h3-7,10,15-17,21H,8-9,11-14H2,1-2H3,(H,24,29)(H,25,30)/t16-,17+,21-/m0/s1
InChIKey
WFWNXNCXCDXIDE-FVJLSDCUSA-N
Synonyms

(1R5R)N((S)1((2(furan2yl)ethyl)amino)3methyl1oxobutan2yl)8oxo4568tetrahydro1H15methanopyrido(12a)(15)diazocine3(2H)carboxamide
(1S5S)N((2S)1((2(furan2yl)ethyl)amino)3methyl1oxobutan2yl)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocine3(4H)carboxamide
InChI=1SC23H30N4O4c115(2)21(22(29)24981854103118)2523(30)2612161117(1426)1963720(28)27(19)1316h3710151721H891114H212H3(H2429)(H2530)t1617+21m0s1
O=C(N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)N(C@H)(C(=O)NCCc1ccco1)C(C)C
ZINC000225418243

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Available files

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