Vitas-M small molecule compound

ethyl 4-{[1-(2-chloro-7H-purin-6-yl)piperidin-4-yl]carbonyl}piperazine-1-carboxylate

Catalog ID
STK623758
SMILES CCOC(=O)N1CCN(CC1)C(=O)C1CCN(CC1)c1nc(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 C18H24ClN7O3 MW 421.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H24ClN7O3/c1-2-29-18(28)26-9-7-25(8-10-26)16(27)12-3-5-24(6-4-12)15-13-14(21-11-20-13)22-17(19)23-15/h11-12H,2-10H2,1H3,(H,20,21,22,23)
InChIKey
VLFMQFVKLKEKNU-UHFFFAOYSA-N
Synonyms
929845-71-6
929845716
CCOC(=O)N1CCN(CC1)C(=O)C1CCN(CC1)c1nc(Cl)nc2c1(nH)cn2
CCOC(=O)N1CCN(CC1)C(=O)C1CCN(CC1)c1nc(Cl)nc2c1nc(nH)2
CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)C3=NC(=NC4=C3NC=N4)Cl
ethyl4((1(2chloro7Hpurin6yl)piperidin4yl)carbonyl)piperazine1carboxylate
ethyl4(1(2chloro7Hpurin6yl)piperidine4carbonyl)piperazine1carboxylate
ethyl4(1(2chloro9Hpurin6yl)piperidine4carbonyl)piperazine1carboxylate
InChI=1SC18H24ClN7O3c122918(28)269725(81026)16(27)123524(6412)151314(21112013)2217(19)2315h1112H210H21H3(H20212223)
MFCD09791482
ZINC000013569243
ZINC13569243

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.