Vitas-M small molecule compound
2-[(2-chloro-7H-purin-6-yl)sulfanyl]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
Catalog ID
STK620333
SMILES O=C(C(Sc1nc(Cl)nc2c1[nH]cn2)C)N1CCN(CC1)c1ccccc1F
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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 C18H18ClFN6OS MW 420.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18ClFN6OS/c1-11(28-16-14-15(22-10-21-14)23-18(19)24-16)17(27)26-8-6-25(7-9-26)13-5-3-2-4-12(13)20/h2-5,10-11H,6-9H2,1H3,(H,21,22,23,24)InChIKey
PDCAFMOJNYFIRA-UHFFFAOYSA-NSynonyms
929825-55-82((2chloro7Hpurin6yl)sulfanyl)1(4(2fluorophenyl)piperazin1yl)propan1one
2((2chloro9Hpurin6yl)thio)1(4(2fluorophenyl)piperazin1yl)propan1one
929825558
CC(C(=O)N1CCN(CC1)C2=CC=CC=C2F)SC3=NC(=NC4=C3NC=N4)Cl
InChI=1SC18H18ClFN6OSc111(28161415(22102114)2318(19)2416)17(27)268625(7926)13532412(13)20h251011H69H21H3(H21222324)
MFCD09794956
O=C(C(Sc1nc(Cl)nc2c1(nH)cn2)C)N1CCN(CC1)c1ccccc1F
O=C(C(Sc1nc(Cl)nc2c1nc(nH)2)C)N1CCN(CC1)c1ccccc1F
ZINC000009421301
ZINC000009421302
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