Vitas-M small molecule compound
4-methoxy-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]benzamide
Catalog ID
STL527636
SMILES COc1ccc(cc1)C(=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 C22H23Cl3N4O3S MW 529.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23Cl3N4O3S/c1-32-16-7-5-14(6-8-16)19(31)26-20(22(23,24)25)27-21(33)28-10-13-9-15(12-28)17-3-2-4-18(30)29(17)11-13/h2-8,13,15,20H,9-12H2,1H3,(H,26,31)(H,27,33)/t13-,15+,20?/m0/s1InChIKey
OAQRMMADAQQUII-VOXKTVDUSA-NSynonyms
4methoxyN(222trichloro1((((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)carbonothioyl)amino)ethyl)benzamide
4methoxyN(222trichloro1((1R5R)8oxo234568hexahydro1H15methanopyrido(12a)(15)diazocine3carbothioamido)ethyl)benzamide
COc1ccc(cc1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)N1C(C@@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC22H23Cl3N4O3Sc132167514(6816)19(31)2620(22(2324)25)2721(33)281013915(1228)1732418(30)29(17)1113h28131520H912H21H3(H2631)(H2733)t1315+20?m0s1
MFCD03659917
ZINC000002129699
ZINC000100749028
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