Vitas-M small molecule compound
(3-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl}-1-methyl-1H-pyrazol-4-yl)(thiomorpholin-4-yl)methanone
Catalog ID
STL132905
SMILES O=C(c1cn(nc1S(=O)(=O)N1CCN(CC1)c1cc(Cl)ccc1C)C)N1CCSCC1
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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 C20H26ClN5O3S2 MW 484.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26ClN5O3S2/c1-15-3-4-16(21)13-18(15)24-5-7-26(8-6-24)31(28,29)19-17(14-23(2)22-19)20(27)25-9-11-30-12-10-25/h3-4,13-14H,5-12H2,1-2H3InChIKey
XKGPXJDORMWZGF-UHFFFAOYSA-NSynonyms
(3((4(5chloro2methylphenyl)piperazin1yl)sulfonyl)1methyl1Hpyrazol4yl)(thiomorpholin4yl)methanone
(3(4(5chloro2methylphenyl)piperazin1yl)sulfonyl1methylpyrazol4yl)thiomorpholin4ylmethanone
CC1=C(C=C(C=C1)Cl)N2CCN(CC2)S(=O)(=O)C3=NN(C=C3C(=O)N4CCSCC4)C
InChI=1SC20H26ClN5O3S2c1153416(21)1318(15)245726(8624)31(2829)1917(1423(2)2219)20(27)2591130121025h341314H512H212H3
MFCD20752848
ZINC000067337937
ZINC67337937
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