Vitas-M small molecule compound

1,3,9-trimethyl-8-(phenylsulfonyl)-3,9-dihydro-1H-purine-2,6-dione

Catalog ID
STK357374
SMILES Cn1c2c(nc1S(=O)(=O)c1ccccc1)c(=O)n(c(=O)n2C)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 C14H14N4O4S MW 334.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H14N4O4S/c1-16-11-10(12(19)18(3)14(20)17(11)2)15-13(16)23(21,22)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKey
LZEMRFQMROLMOW-UHFFFAOYSA-N
Synonyms
919970-54-0
139trimethyl8(phenylsulfonyl)1Hpurine26(3H9H)dione
139trimethyl8(phenylsulfonyl)39dihydro1Hpurine26dione
8(benzenesulfonyl)139trimethylpurine26dione
919970540
CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1S(=O)(=O)C3=CC=CC=C3
InChI=1SC14H14N4O4Sc1161110(12(19)18(3)14(20)17(11)2)1513(16)23(2122)9754689h48H13H3
MFCD09418511
ZINC000009142749
ZINC09142749
ZINC9142749

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.