Vitas-M small molecule compound
3-[(2-chloro-7H-purin-6-yl)sulfanyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
Catalog ID
STK617684
SMILES COc1ccccc1N1CCN(CC1)C(=O)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 C19H21ClN6O2S MW 432.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21ClN6O2S/c1-28-14-5-3-2-4-13(14)25-7-9-26(10-8-25)15(27)6-11-29-18-16-17(22-12-21-16)23-19(20)24-18/h2-5,12H,6-11H2,1H3,(H,21,22,23,24)InChIKey
HMEHPXJHTINNMH-UHFFFAOYSA-NSynonyms
929861-52-93((2chloro7Hpurin6yl)sulfanyl)1(4(2methoxyphenyl)piperazin1yl)propan1one
3((2chloro9Hpurin6yl)thio)1(4(2methoxyphenyl)piperazin1yl)propan1one
929861529
COC1=CC=CC=C1N2CCN(CC2)C(=O)CCSC3=NC(=NC4=C3NC=N4)Cl
COc1ccccc1N1CCN(CC1)C(=O)CCSc1nc(Cl)nc2c1(nH)cn2
COc1ccccc1N1CCN(CC1)C(=O)CCSc1nc(Cl)nc2c1nc(nH)2
InChI=1SC19H21ClN6O2Sc12814532413(14)257926(10825)15(27)61129181617(22122116)2319(20)2418h2512H611H21H3(H21222324)
MFCD09789335
ZINC000013549567
ZINC13549567
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