Vitas-M small molecule compound

4-methoxy-N-{2,2,2-trichloro-1-[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl}benzamide

Catalog ID
STL527620
SMILES COc1ccc(cc1)C(=O)NC(C(Cl)(Cl)Cl)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 C21H22Cl3N3O3 MW 470.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22Cl3N3O3/c1-30-16-7-5-14(6-8-16)19(29)25-20(21(22,23)24)26-10-13-9-15(12-26)17-3-2-4-18(28)27(17)11-13/h2-8,13,15,20H,9-12H2,1H3,(H,25,29)/t13-,15-,20?/m0/s1
InChIKey
DVDDMVOTBCDRPJ-ZOSMMGSXSA-N
Synonyms
956709-53-8
16397993
4methoxy~(N)(222trichloro1((1~(S)9~(S))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)ethyl)benzamide
4methoxyN(222trichloro1((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)ethyl)benzamide
4methoxyN(222trichloro1((1S5S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)ethyl)benzamide
956709538
COc1ccc(cc1)C(=O)NC(C(Cl)(Cl)Cl)N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC21H22Cl3N3O3c130167514(6816)19(29)2520(21(2223)24)261013915(1226)1732418(28)27(17)1113h28131520H912H21H3(H2529)t131520?m0s1
MFCD03660061
ZINC000100749162
ZINC000100749164

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Available files

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