Vitas-M small molecule compound
1-(2-chloro-7H-purin-6-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-3-carboxamide
Catalog ID
STK628069
SMILES COc1cc(CCNC(=O)C2CCCN(C2)c2nc(Cl)nc3c2[nH]cn3)ccc1OC
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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 C21H25ClN6O3 MW 444.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25ClN6O3/c1-30-15-6-5-13(10-16(15)31-2)7-8-23-20(29)14-4-3-9-28(11-14)19-17-18(25-12-24-17)26-21(22)27-19/h5-6,10,12,14H,3-4,7-9,11H2,1-2H3,(H,23,29)(H,24,25,26,27)InChIKey
DQORGRRYLDUDIG-UHFFFAOYSA-NSynonyms
929864-09-51(2chloro7Hpurin6yl)N(2(34dimethoxyphenyl)ethyl)piperidine3carboxamide
1(2chloro9Hpurin6yl)N(34dimethoxyphenethyl)piperidine3carboxamide
929864095
COC1=C(C=C(C=C1)CCNC(=O)C2CCCN(C2)C3=NC(=NC4=C3NC=N4)Cl)OC
COc1cc(CCNC(=O)C2CCCN(C2)c2nc(Cl)nc3c2(nH)cn3)ccc1OC
COc1cc(CCNC(=O)C2CCCN(C2)c2nc(Cl)nc3c2nc(nH)3)ccc1OC
InChI=1SC21H25ClN6O3c130156513(1016(15)312)782320(29)1443928(1114)191718(25122417)2621(22)2719h56101214H347911H212H3(H2329)(H24252627)
MFCD09791644
ZINC000013569483
ZINC000013569485
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