Vitas-M small molecule compound
2-(2-methylphenoxy)-N-{2,2,2-trichloro-1-[(5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl}acetamide
Catalog ID
STL527444
SMILES O=C(NC(C(Cl)(Cl)Cl)N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1)COc1ccccc1C
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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 C22H24Cl3N3O3 MW 484.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24Cl3N3O3/c1-14-5-2-3-7-18(14)31-13-19(29)26-21(22(23,24)25)27-10-15-9-16(12-27)17-6-4-8-20(30)28(17)11-15/h2-8,15-16,21H,9-13H2,1H3,(H,26,29)/t15-,16?,21?/m0/s1InChIKey
ZIKQGYNALNCREM-FQWCMUAHSA-NSynonyms
16398063
2(2methylphenoxy)~(N)(222trichloro1((9~(S))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)ethyl)acetamide
2(2methylphenoxy)N(222trichloro1((5S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)ethyl)acetamide
2(otolyloxy)N(222trichloro1((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)ethyl)acetamide
InChI=1SC22H24Cl3N3O3c114523718(14)311319(29)2621(22(2324)25)271015916(1227)1764820(30)28(17)1115h28151621H913H21H3(H2629)t1516?21?m0s1
MFCD03660278
O=C(NC(C(Cl)(Cl)Cl)N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1)COc1ccccc1C
ZINC000043751630
ZINC000043751631
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