Vitas-M small molecule compound

2-(2-methylphenoxy)-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]carbonothioyl}amino)ethyl]acetamide

Catalog ID
STL527640
SMILES O=C(NC(C(Cl)(Cl)Cl)NC(=S)N1C[C@H]2C[C@@H](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 C23H25Cl3N4O3S MW 543.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25Cl3N4O3S/c1-14-5-2-3-7-18(14)33-13-19(31)27-21(23(24,25)26)28-22(34)29-10-15-9-16(12-29)17-6-4-8-20(32)30(17)11-15/h2-8,15-16,21H,9-13H2,1H3,(H,27,31)(H,28,34)/t15-,16+,21?/m0/s1
InChIKey
OWRHQOINTGJQLW-PTHSTZKBSA-N
Synonyms

2(2methylphenoxy)N(222trichloro1((((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)carbonothioyl)amino)ethyl)acetamide
2(otolyloxy)N(222trichloro1((1R5R)8oxo234568hexahydro1H15methanopyrido(12a)(15)diazocine3carbothioamido)ethyl)acetamide
InChI=1SC23H25Cl3N4O3Sc114523718(14)331319(31)2721(23(2425)26)2822(34)291015916(1229)1764820(32)30(17)1115h28151621H913H21H3(H2731)(H2834)t1516+21?m0s1
MFCD03660353
O=C(NC(C(Cl)(Cl)Cl)NC(=S)N1C(C@@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)COc1ccccc1C
ZINC000002140288
ZINC000002140290

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Available files

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