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]furan-2-carboxamide
Catalog ID
STL527586
SMILES S=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)NC(C(Cl)(Cl)Cl)NC(=O)c1ccco1
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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 C19H19Cl3N4O3S MW 489.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19Cl3N4O3S/c20-19(21,22)17(23-16(28)14-4-2-6-29-14)24-18(30)25-8-11-7-12(10-25)13-3-1-5-15(27)26(13)9-11/h1-6,11-12,17H,7-10H2,(H,23,28)(H,24,30)/t11-,12-,17?/m0/s1InChIKey
LTFFBQGQKWZKLL-FAGLKTCQSA-NSynonyms
956925-13-6~(N)(222trichloro1(((1~(S)9~(R))6oxo711diazatricyclo(7310^(27))trideca24diene11carbothioyl)amino)ethyl)furan2carboxamide
16397955
956925136
InChI=1SC19H19Cl3N4O3Sc2019(2122)17(2316(28)144262914)2418(30)25811712(1025)1331515(27)26(13)911h16111217H710H2(H2328)(H2430)t111217?m0s1
MFCD03659930
N(222trichloro1((((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)carbonothioyl)amino)ethyl)furan2carboxamide
N(222trichloro1((1R5R)8oxo234568hexahydro1H15methanopyrido(12a)(15)diazocine3carbothioamido)ethyl)furan2carboxamide
S=C(N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1)NC(C(Cl)(Cl)Cl)NC(=O)c1ccco1
ZINC000002129712
ZINC000100749036
Check stock
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Check stock on Vitas-MAvailable files
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