Vitas-M small molecule compound

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

Catalog ID
STL528225
SMILES O=C(OC(C)(C)C)NCC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

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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 C18H25N3O4 MW 347.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H25N3O4/c1-18(2,3)25-17(24)19-8-16(23)20-9-12-7-13(11-20)14-5-4-6-15(22)21(14)10-12/h4-6,12-13H,7-11H2,1-3H3,(H,19,24)/t12-,13-/m0/s1
InChIKey
ZRCISJCHAIJICE-STQMWFEESA-N
Synonyms

~(tert)butyl~(N)(2oxo2((1~(S)9~(S))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)ethyl)carbamate
1750046
InChI=1SC18H25N3O4c118(23)2517(24)19816(23)20912713(1120)1454615(22)21(14)1012h461213H711H213H3(H1924)t1213m0s1
MFCD02925330
O=C(OC(C)(C)C)NCC(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
tertbutyl(2oxo2((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)ethyl)carbamate
tertbutyl(2oxo2((1S5S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)ethyl)carbamate
ZINC000002093209

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Available files

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