Vitas-M small molecule compound
4-bromo-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
STL527643
SMILES Brc1ccc(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 C20H19BrCl3N3O2 MW 519.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19BrCl3N3O2/c21-15-6-4-13(5-7-15)18(29)25-19(20(22,23)24)26-9-12-8-14(11-26)16-2-1-3-17(28)27(16)10-12/h1-7,12,14,19H,8-11H2,(H,25,29)/t12-,14-,19?/m0/s1InChIKey
RXQLPUQUPKJQDE-YGVLEFOJSA-NSynonyms
1217542-69-21217542692
16398041
4bromo~(N)(222trichloro1((1~(S)9~(S))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)ethyl)benzamide
4bromoN(222trichloro1((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)ethyl)benzamide
4bromoN(222trichloro1((1S5S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)ethyl)benzamide
Brc1ccc(cc1)C(=O)NC(C(Cl)(Cl)Cl)N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC20H19BrCl3N3O2c21156413(5715)18(29)2519(20(2223)24)26912814(1126)1621317(28)27(16)1012h17121419H811H2(H2529)t121419?m0s1
MFCD03660202
ZINC000002137447
ZINC000002137449
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