Vitas-M small molecule compound
4-(9H-purin-6-ylamino)benzoic acid
Catalog ID
STL287789
SMILES OC(=O)c1ccc(cc1)Nc1ncnc2c1nc[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 C12H9N5O2 MW 255.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H9N5O2/c18-12(19)7-1-3-8(4-2-7)17-11-9-10(14-5-13-9)15-6-16-11/h1-6H,(H,18,19)(H2,13,14,15,16,17)InChIKey
HIPVRKVLPDDNQM-UHFFFAOYSA-NSynonyms
4((9Hpurin6yl)amino)benzoicacidhydrochloride
4(7HPURIN6YLAMINO)BENZOICACID
4(9Hpurin6ylamino)benzoicacid
C1=CC(=CC=C1C(=O)O)NC2=NC=NC3=C2NC=N3
InChI=1SC12H9N5O2c1812(19)7138(427)1711910(145139)1561611h16H(H1819)(H21314151617)
MFCD12029982
OC(=O)c1ccc(cc1)Nc1ncnc2c1nc(nH)2
OC(=O)c1ccc(cc1)Nc1ncnc2c1nc(nH)2Cl
ZINC000001669634
ZINC1669634
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