Vitas-M small molecule compound
butyl 4-[(2-chloro-9H-purin-6-yl)amino]benzoate
Catalog ID
STL411712
SMILES CCCCOC(=O)c1ccc(cc1)Nc1nc(Cl)nc2c1nc[nH]2
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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 C16H16ClN5O2 MW 345.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16ClN5O2/c1-2-3-8-24-15(23)10-4-6-11(7-5-10)20-14-12-13(19-9-18-12)21-16(17)22-14/h4-7,9H,2-3,8H2,1H3,(H2,18,19,20,21,22)InChIKey
LBNYFWLDNPTHOD-UHFFFAOYSA-NSynonyms
butyl4((2chloro7Hpurin6yl)amino)benzoate
butyl4((2chloro9Hpurin6yl)amino)benzoate
CCCCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC3=C2NC=N3)Cl
CCCCOC(=O)c1ccc(cc1)Nc1nc(Cl)nc2c1nc(nH)2
InChI=1SC16H16ClN5O2c12382415(23)104611(7510)20141213(1991812)2116(17)2214h479H238H21H3(H21819202122)
MFCD28577935
ZINC000143661848
ZINC143661848
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