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]naphthalene-1-carboxamide
Catalog ID
STL527524
SMILES S=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)NC(C(Cl)(Cl)Cl)NC(=O)c1cccc2c1cccc2
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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 C25H23Cl3N4O2S MW 549.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23Cl3N4O2S/c26-25(27,28)23(29-22(34)19-8-3-6-16-5-1-2-7-18(16)19)30-24(35)31-12-15-11-17(14-31)20-9-4-10-21(33)32(20)13-15/h1-10,15,17,23H,11-14H2,(H,29,34)(H,30,35)/t15-,17+,23?/m0/s1InChIKey
QLILNHKDEWMHTM-FXQOXMCXSA-NSynonyms
InChI=1SC25H23Cl3N4O2Sc2625(2728)23(2922(34)1983616512718(16)19)3024(35)3112151117(1431)20941021(33)32(20)1315h110151723H1114H2(H2934)(H3035)t1517+23?m0s1
MFCD03660449
N(222trichloro1((((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)carbonothioyl)amino)ethyl)naphthalene1carboxamide
N(222trichloro1((1R5R)8oxo234568hexahydro1H15methanopyrido(12a)(15)diazocine3carbothioamido)ethyl)1naphthamide
S=C(N1C(C@@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)NC(C(Cl)(Cl)Cl)NC(=O)c1cccc2c1cccc2
ZINC000002140427
ZINC000002140428
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