Vitas-M small molecule compound

benzyl [2-oxo-2-({2-oxo-2-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl}amino)ethyl]carbamate

Catalog ID
STL526561
SMILES O=C(NCC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)CNC(=O)OCc1ccccc1

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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 C23H26N4O5 MW 438.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N4O5/c28-20(10-25-23(31)32-15-16-5-2-1-3-6-16)24-11-22(30)26-12-17-9-18(14-26)19-7-4-8-21(29)27(19)13-17/h1-8,17-18H,9-15H2,(H,24,28)(H,25,31)/t17-,18+/m0/s1
InChIKey
NHLSAYPMYLLLFX-ZWKOTPCHSA-N
Synonyms

benzyl(2oxo2((2oxo2((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)ethyl)amino)ethyl)carbamate
benzyl(2oxo2((2oxo2((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)ethyl)amino)ethyl)carbamate
InChI=1SC23H26N4O5c2820(102523(31)3215165213616)241122(30)261217918(1426)1974821(29)27(19)1317h181718H915H2(H2428)(H2531)t1718+m0s1
MFCD02926005
O=C(NCC(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)CNC(=O)OCc1ccccc1
ZINC000002139758

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Available files

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