Vitas-M small molecule compound

(1S,5S)-N-[2-(4-methoxyphenyl)ethyl]-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide

Catalog ID
STL546827
SMILES COc1ccc(cc1)CCNC(=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 C21H25N3O3 MW 367.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O3/c1-27-18-7-5-15(6-8-18)9-10-22-21(26)23-12-16-11-17(14-23)19-3-2-4-20(25)24(19)13-16/h2-8,16-17H,9-14H2,1H3,(H,22,26)/t16-,17+/m0/s1
InChIKey
QWJQACMPEAOJFF-DLBZAZTESA-N
Synonyms

(1R5R)N(4methoxyphenethyl)8oxo4568tetrahydro1H15methanopyrido(12a)(15)diazocine3(2H)carboxamide
(1S5S)N(2(4methoxyphenyl)ethyl)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocine3(4H)carboxamide
COc1ccc(cc1)CCNC(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC21H25N3O3c127187515(6818)9102221(26)2312161117(1423)1932420(25)24(19)1316h281617H914H21H3(H2226)t1617+m0s1
ZINC000263586177

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Available files

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