Vitas-M small molecule compound
(8E)-1-(2-chlorobenzyl)-3,7-dimethyl-8-[(2E)-(thiophen-2-ylmethylidene)hydrazinylidene]-3,7,8,9-tetrahydro-1H-purine-2,6-dione
Catalog ID
STL057747
SMILES Clc1ccccc1Cn1c(=O)c2n(C)/c(=N/N=C/c3cccs3)/[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 C19H17ClN6O2S MW 428.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17ClN6O2S/c1-24-15-16(22-18(24)23-21-10-13-7-5-9-29-13)25(2)19(28)26(17(15)27)11-12-6-3-4-8-14(12)20/h3-10H,11H2,1-2H3,(H,22,23)/b21-10+InChIKey
BQIITEIYYHDXAB-UFFVCSGVSA-NSynonyms
573936-96-6(8E)1(2chlorobenzyl)37dimethyl8((2E)(thiophen2ylmethylidene)hydrazinylidene)3789tetrahydro1Hpurine26dione
1((2CHLOROPHENYL)METHYL)37DIMETHYL8((2E)2(THIOPHEN2YLMETHYLIDENE)HYDRAZINYL)PURINE26DIONE
573936966
Clc1ccccc1Cn1c(=O)c2n(C)c(=NN=Cc3cccs3)(nH)c2n(c1=O)C
CN1C2=C(N=C1NN=CC3=CC=CS3)N(C(=O)N(C2=O)CC4=CC=CC=C4Cl)C
InChI=1SC19H17ClN6O2Sc1241516(2218(24)232110137592913)25(2)19(28)26(17(15)27)1112634814(12)20h310H11H212H3(H2223)b2110+
MFCD05733037
ZINC000009423983
ZINC33374557
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