Vitas-M small molecule compound
ethyl 2-chloro-5-({[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}amino)benzoate
Catalog ID
STL529654
SMILES CCOC(=O)c1cc(ccc1Cl)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 C21H22ClN3O3S MW 431.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClN3O3S/c1-2-28-20(27)16-9-15(6-7-17(16)22)23-21(29)24-10-13-8-14(12-24)18-4-3-5-19(26)25(18)11-13/h3-7,9,13-14H,2,8,10-12H2,1H3,(H,23,29)/t13-,14+/m0/s1InChIKey
DISNQCMLSLXUNQ-UONOGXRCSA-NSynonyms
1246370-01-31246370013
CCOC(=O)c1cc(ccc1Cl)NC(=S)N1C(C@@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
ethyl2chloro5((((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)carbonothioyl)amino)benzoate
ethyl2chloro5((1R5R)8oxo234568hexahydro1H15methanopyrido(12a)(15)diazocine3carbothioamido)benzoate
InChI=1SC21H22ClN3O3Sc122820(27)16915(6717(16)22)2321(29)241013814(1224)1843519(26)25(18)1113h3791314H281012H21H3(H2329)t1314+m0s1
MFCD07657495
ZINC000100758563
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