Vitas-M small molecule compound

7-(4-chlorobenzyl)-1,3-dimethyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK000371
SMILES Clc1ccc(cc1)Cn1c(S)nc2c1c(=O)n(C)c(=O)n2C

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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 C14H13ClN4O2S MW 336.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13ClN4O2S/c1-17-11-10(12(20)18(2)14(17)21)19(13(22)16-11)7-8-3-5-9(15)6-4-8/h3-6H,7H2,1-2H3,(H,16,22)
InChIKey
FULUDSQAMYAPHN-UHFFFAOYSA-N
Synonyms
1604-81-5
1604815
7((4CHLOROPHENYL)METHYL)13DIMETHYL8SULFANYL137TRIHYDROPURINE26DIONE
7((4CHLOROPHENYL)METHYL)13DIMETHYL8SULFANYLIDENE9HPURINE26DIONE
7(4CHLOROBENZYL)13DIMETHYL8SULFANYL37DIHYDRO1HPURINE26DIONE
7(4CHLOROBENZYL)8MERCAPTO13DIMETHYL1HPURINE26(3H7H)DIONE
7(4CHLOROBENZYL)8MERCAPTO13DIMETHYL37DIHYDROPURINE26DIONE
Clc1ccc(cc1)Cn1c(S)nc2c1c(=O)n(C)c(=O)n2C
CN1C2=C(C(=O)N(C1=O)C)N(C(=S)N2)CC3=CC=C(C=C3)Cl
InChI=1SC14H13ClN4O2Sc1171110(12(20)18(2)14(17)21)19(13(22)1611)78359(15)648h36H7H212H3(H1622)
MFCD01032094
PURINE26(1H3H)DIONE7(4CHLOROBENZYL)13DIMETHYL8MERCAPTO
STK000371
ZINC000100510043
ZINC100510043

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Available files

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