Vitas-M small molecule compound
1-(4-benzylpiperazin-1-yl)-3-[(2-chloro-7H-purin-6-yl)sulfanyl]propan-1-one
Catalog ID
STK628009
SMILES O=C(N1CCN(CC1)Cc1ccccc1)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 C19H21ClN6OS MW 416.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21ClN6OS/c20-19-23-17-16(21-13-22-17)18(24-19)28-11-6-15(27)26-9-7-25(8-10-26)12-14-4-2-1-3-5-14/h1-5,13H,6-12H2,(H,21,22,23,24)InChIKey
AZXWNJWVEAWGSS-UHFFFAOYSA-NSynonyms
929871-45-41(4benzylpiperazin1yl)3((2chloro7Hpurin6yl)sulfanyl)propan1one
1(4benzylpiperazin1yl)3((2chloro9Hpurin6yl)thio)propan1one
929871454
C1CN(CCN1CC2=CC=CC=C2)C(=O)CCSC3=NC(=NC4=C3NC=N4)Cl
InChI=1SC19H21ClN6OSc2019231716(21132217)18(2419)2811615(27)269725(81026)12144213514h1513H612H2(H21222324)
MFCD09798204
O=C(N1CCN(CC1)Cc1ccccc1)CCSc1nc(Cl)nc2c1(nH)cn2
O=C(N1CCN(CC1)Cc1ccccc1)CCSc1nc(Cl)nc2c1nc(nH)2
ZINC000020646969
ZINC20646969
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