Vitas-M small molecule compound
3-[(2-chloro-7H-purin-6-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)propan-1-one
Catalog ID
STK618833
SMILES O=C(N1CCN(CC1)c1ccccc1)CCSc1nc(Cl)nc2c1[nH]cn2
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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 C18H19ClN6OS MW 402.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19ClN6OS/c19-18-22-16-15(20-12-21-16)17(23-18)27-11-6-14(26)25-9-7-24(8-10-25)13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H,20,21,22,23)InChIKey
CXCCXECSHKFQLP-UHFFFAOYSA-NSynonyms
929844-67-73((2chloro7Hpurin6yl)sulfanyl)1(4phenylpiperazin1yl)propan1one
3((2chloro9Hpurin6yl)thio)1(4phenylpiperazin1yl)propan1one
929844677
C1CN(CCN1C2=CC=CC=C2)C(=O)CCSC3=NC(=NC4=C3NC=N4)Cl
InChI=1SC18H19ClN6OSc1918221615(20122116)17(2318)2711614(26)259724(81025)134213513h1512H611H2(H20212223)
MFCD09798099
O=C(N1CCN(CC1)c1ccccc1)CCSc1nc(Cl)nc2c1(nH)cn2
O=C(N1CCN(CC1)c1ccccc1)CCSc1nc(Cl)nc2c1nc(nH)2
ZINC000009421375
ZINC09421375
ZINC9421375
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