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2-(naphthalen-1-yl)-N-[2,2,2-trichloro-1-({[(1R,5S)-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
STL527752
SMILES O=C(NC(C(Cl)(Cl)Cl)NC(=S)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1cccc2c1cccc2

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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 C26H25Cl3N4O2S MW 563.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25Cl3N4O2S/c27-26(28,29)24(30-22(34)12-18-7-3-6-17-5-1-2-8-20(17)18)31-25(36)32-13-16-11-19(15-32)21-9-4-10-23(35)33(21)14-16/h1-10,16,19,24H,11-15H2,(H,30,34)(H,31,36)/t16-,19+,24?/m0/s1
InChIKey
KXYOMHDEEVWVFE-ZQJRHWRRSA-N
Synonyms
957030-70-5
16398307
2(naphthalen1yl)N(222trichloro1((((1R5S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)carbonothioyl)amino)ethyl)acetamide
2(naphthalen1yl)N(222trichloro1((1R5R)8oxo234568hexahydro1H15methanopyrido(12a)(15)diazocine3carbothioamido)ethyl)acetamide
2naphthalen1yl~(N)(222trichloro1(((1~(R)9~(R))6oxo711diazatricyclo(7310^(27))trideca24diene11carbothioyl)amino)ethyl)acetamide
957030705
InChI=1SC26H25Cl3N4O2Sc2726(2829)24(3022(34)121873617512820(17)18)3125(36)3213161119(1532)21941023(35)33(21)1416h110161924H1115H2(H3034)(H3136)t1619+24?m0s1
MFCD03661518
O=C(NC(C(Cl)(Cl)Cl)NC(=S)N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1)Cc1cccc2c1cccc2
ZINC000070673707
ZINC000070673712

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.

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