Vitas-M small molecule compound
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
STL527520
SMILES CC(=O)NC(C(Cl)(Cl)Cl)NC(=S)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 C16H19Cl3N4O2S MW 437.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19Cl3N4O2S/c1-9(24)20-14(16(17,18)19)21-15(26)22-6-10-5-11(8-22)12-3-2-4-13(25)23(12)7-10/h2-4,10-11,14H,5-8H2,1H3,(H,20,24)(H,21,26)/t10-,11-,14?/m0/s1InChIKey
NWNJMUITOYPCJP-RFMBEDMFSA-NSynonyms
956157-75-8~(N)(222trichloro1(((1~(S)9~(R))6oxo711diazatricyclo(7310^(27))trideca24diene11carbothioyl)amino)ethyl)acetamide
16397929
956157758
CC(=O)NC(C(Cl)(Cl)Cl)NC(=S)N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC16H19Cl3N4O2Sc19(24)2014(16(1718)19)2115(26)22610511(822)1232413(25)23(12)710h24101114H58H21H3(H2024)(H2126)t101114?m0s1
MFCD03659845
N(222trichloro1((((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)carbonothioyl)amino)ethyl)acetamide
N(222trichloro1((1R5R)8oxo234568hexahydro1H15methanopyrido(12a)(15)diazocine3carbothioamido)ethyl)acetamide
ZINC000002129617
ZINC000002129618
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Check stock on Vitas-MAvailable files
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