Vitas-M small molecule compound
6-hydroxy-3-methyl-7-[(2E)-3-phenylprop-2-en-1-yl]-8-(piperazin-1-yl)-3,7-dihydro-2H-purin-2-one
Catalog ID
STL249756
SMILES Oc1nc(=O)n(c2c1n(C/C=C/c1ccccc1)c(n2)N1CCNCC1)C
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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 C19H22N6O2 MW 366.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22N6O2/c1-23-16-15(17(26)22-19(23)27)25(11-5-8-14-6-3-2-4-7-14)18(21-16)24-12-9-20-10-13-24/h2-8,20H,9-13H2,1H3,(H,22,26,27)/b8-5+InChIKey
IMDRDADRPBBASE-VMPITWQZSA-NSynonyms
878441-36-23METHYL7((E)3PHENYLALLYL)8PIPERAZIN1YL37DIHYDROPURINE26DIONE
3METHYL7((E)3PHENYLPROP2ENYL)8PIPERAZIN1YLPURINE26DIONE
6hydroxy3methyl7((2E)3phenylprop2en1yl)8(piperazin1yl)37dihydro2Hpurin2one
7((2E)3PHENYLPROP2ENYL)3METHYL8PIPERAZINYL137TRIHYDROPURINE26DIONE
878441362
CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCNCC3)CC=CC4=CC=CC=C4
InChI=1SC19H22N6O2c1231615(17(26)2219(23)27)25(1158146324714)18(2116)2412920101324h2820H913H21H3(H222627)b85+
MFCD24861628
Oc1nc(=O)n(c2c1n(CC=Cc1ccccc1)c(n2)N1CCNCC1)C
ZINC000004316578
ZINC4316578
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