Vitas-M small molecule compound
N-[2,2,2-trichloro-1-({[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}amino)ethyl]benzamide
Catalog ID
STL527644
SMILES S=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)NC(C(Cl)(Cl)Cl)NC(=O)c1ccccc1
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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 C21H21Cl3N4O2S MW 499.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21Cl3N4O2S/c22-21(23,24)19(25-18(30)14-5-2-1-3-6-14)26-20(31)27-10-13-9-15(12-27)16-7-4-8-17(29)28(16)11-13/h1-8,13,15,19H,9-12H2,(H,25,30)(H,26,31)/t13-,15-,19?/m0/s1InChIKey
IUEMKRDNTIHXTN-MEFJIFBHSA-NSynonyms
InChI=1SC21H21Cl3N4O2Sc2221(2324)19(2518(30)145213614)2620(31)271013915(1227)1674817(29)28(16)1113h18131519H912H2(H2530)(H2631)t131519?m0s1
MFCD03659949
N(222trichloro1((((1S5S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)carbonothioyl)amino)ethyl)benzamide
N(222trichloro1((1R5R)8oxo234568hexahydro1H15methanopyrido(12a)(15)diazocine3carbothioamido)ethyl)benzamide
S=C(N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1)NC(C(Cl)(Cl)Cl)NC(=O)c1ccccc1
ZINC000002136937
ZINC000002136939
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