Vitas-M small molecule compound
(8E)-1-(2-chlorobenzyl)-3,7-dimethyl-8-[(2E)-(pyridin-3-ylmethylidene)hydrazinylidene]-3,7,8,9-tetrahydro-1H-purine-2,6-dione
Catalog ID
STK568280
SMILES Clc1ccccc1Cn1c(=O)c2n(C)/c(=N/N=C/c3cccnc3)/[nH]c2n(c1=O)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 C20H18ClN7O2 MW 423.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClN7O2/c1-26-16-17(24-19(26)25-23-11-13-6-5-9-22-10-13)27(2)20(30)28(18(16)29)12-14-7-3-4-8-15(14)21/h3-11H,12H2,1-2H3,(H,24,25)/b23-11+InChIKey
BIBADKHQKJHXHB-FOKLQQMPSA-NSynonyms
714916-00-4(8E)1(2chlorobenzyl)37dimethyl8((2E)(pyridin3ylmethylidene)hydrazinylidene)3789tetrahydro1Hpurine26dione
1((2CHLOROPHENYL)METHYL)37DIMETHYL8((2E)2(PYRIDIN3YLMETHYLIDENE)HYDRAZINYL)PURINE26DIONE
714916004
Clc1ccccc1Cn1c(=O)c2n(C)c(=NN=Cc3cccnc3)(nH)c2n(c1=O)C
CN1C2=C(N=C1NN=CC3=CN=CC=C3)N(C(=O)N(C2=O)CC4=CC=CC=C4Cl)C
InChI=1SC20H18ClN7O2c1261617(2419(26)25231113659221013)27(2)20(30)28(18(16)29)1214734815(14)21h311H12H212H3(H2425)b2311+
MFCD05732383
ZINC000009463679
ZINC01298404
ZINC1298404
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