Vitas-M small molecule compound
1-(2-chlorophenyl)-3-{4-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)carbonyl]-1,2,3-thiadiazol-5-yl}urea
Catalog ID
STL442146
SMILES O=C(Nc1ccccc1Cl)Nc1snnc1C(=O)N1CC2CC(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 C21H19ClN6O3S MW 470.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN6O3S/c22-14-4-1-2-5-15(14)23-21(31)24-19-18(25-26-32-19)20(30)27-9-12-8-13(11-27)16-6-3-7-17(29)28(16)10-12/h1-7,12-13H,8-11H2,(H2,23,24,31)InChIKey
LZGUWMHCMFYVLL-UHFFFAOYSA-NSynonyms
1(2chlorophenyl)3(4((8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)carbonyl)123thiadiazol5yl)urea
C1C2CN(CC1C3=CC=CC(=O)N3C2)C(=O)C4=C(SN=N4)NC(=O)NC5=CC=CC=C5Cl
InChI=1SC21H19ClN6O3Sc2214412515(14)2321(31)241918(25263219)20(30)27912813(1127)1663717(29)28(16)1012h171213H811H2(H2232431)
MFCD13806984
ZINC000033436087
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