Vitas-M small molecule compound
2-phenyl-N-{2,2,2-trichloro-1-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl}acetamide
Catalog ID
STL527514
SMILES O=C(NC(C(Cl)(Cl)Cl)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1ccccc1
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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 C21H22Cl3N3O2 MW 454.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22Cl3N3O2/c22-21(23,24)20(25-18(28)10-14-5-2-1-3-6-14)26-11-15-9-16(13-26)17-7-4-8-19(29)27(17)12-15/h1-8,15-16,20H,9-13H2,(H,25,28)/t15-,16-,20?/m0/s1InChIKey
DWGISBCDQKLHPH-GLBCWIETSA-NSynonyms
2phenylN(222trichloro1((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)ethyl)acetamide
2phenylN(222trichloro1((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)ethyl)acetamide
InChI=1SC21H22Cl3N3O2c2221(2324)20(2518(28)10145213614)261115916(1326)1774819(29)27(17)1215h18151620H913H2(H2528)t151620?m0s1
MFCD03659926
O=C(NC(C(Cl)(Cl)Cl)N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1)Cc1ccccc1
ZINC000020113735
ZINC000020113738
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