Vitas-M small molecule compound

ethyl 1-[N-(2-chloro-7H-purin-6-yl)-beta-alanyl]piperidine-4-carboxylate

Catalog ID
STK630553
SMILES CCOC(=O)C1CCN(CC1)C(=O)CCNc1nc(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 C16H21ClN6O3 MW 380.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21ClN6O3/c1-2-26-15(25)10-4-7-23(8-5-10)11(24)3-6-18-13-12-14(20-9-19-12)22-16(17)21-13/h9-10H,2-8H2,1H3,(H2,18,19,20,21,22)
InChIKey
IBPSLARXKOUXBB-UHFFFAOYSA-N
Synonyms
929969-47-1
929969471
CCOC(=O)C1CCN(CC1)C(=O)CCNc1nc(Cl)nc2c1(nH)cn2
CCOC(=O)C1CCN(CC1)C(=O)CCNc1nc(Cl)nc2c1nc(nH)2
CCOC(=O)C1CCN(CC1)C(=O)CCNC2=NC(=NC3=C2NC=N3)Cl
ethyl1(3((2chloro7Hpurin6yl)amino)propanoyl)piperidine4carboxylate
ethyl1(3((2chloro9Hpurin6yl)amino)propanoyl)piperidine4carboxylate
ethyl1(N(2chloro7Hpurin6yl)betaalanyl)piperidine4carboxylate
InChI=1SC16H21ClN6O3c122615(25)104723(8510)11(24)3618131214(2091912)2216(17)2113h910H28H21H3(H21819202122)
MFCD09794668
ZINC000009049248
ZINC09049248
ZINC9049248

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Available files

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