Vitas-M small molecule compound
2-phenyl-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
STL527667
SMILES O=C(NC(C(Cl)(Cl)Cl)NC(=S)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1ccccc1
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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 C22H23Cl3N4O2S MW 513.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23Cl3N4O2S/c23-22(24,25)20(26-18(30)10-14-5-2-1-3-6-14)27-21(32)28-11-15-9-16(13-28)17-7-4-8-19(31)29(17)12-15/h1-8,15-16,20H,9-13H2,(H,26,30)(H,27,32)/t15-,16+,20?/m0/s1InChIKey
SCCKZWQXJMVFBP-QRFGBVCESA-NSynonyms
2phenylN(222trichloro1((((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)carbonothioyl)amino)ethyl)acetamide
2phenylN(222trichloro1((1R5R)8oxo234568hexahydro1H15methanopyrido(12a)(15)diazocine3carbothioamido)ethyl)acetamide
InChI=1SC22H23Cl3N4O2Sc2322(2425)20(2618(30)10145213614)2721(32)281115916(1328)1774819(31)29(17)1215h18151620H913H2(H2630)(H2732)t1516+20?m0s1
MFCD03660420
O=C(NC(C(Cl)(Cl)Cl)NC(=S)N1C(C@@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)Cc1ccccc1
ZINC000002140379
ZINC000002140380
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