Vitas-M small molecule compound

1,3-dimethyl-7-(4-methylbenzyl)-8-[(3-oxobutan-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STL005887
SMILES Cc1ccc(cc1)Cn1c(SC(C(=O)C)C)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 C19H22N4O3S MW 386.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22N4O3S/c1-11-6-8-14(9-7-11)10-23-15-16(20-18(23)27-13(3)12(2)24)21(4)19(26)22(5)17(15)25/h6-9,13H,10H2,1-5H3
InChIKey
MQJPEFMSJIKUGB-UHFFFAOYSA-N
Synonyms
476480-05-4
13DIMETHYL7((4METHYLPHENYL)METHYL)8(3OXOBUTAN2YLSULFANYL)PURINE26DIONE
13dimethyl7(4methylbenzyl)8((3oxobutan2yl)sulfanyl)37dihydro1Hpurine26dione
13DIMETHYL7(4METHYLBENZYL)8((3OXOBUTAN2YL)THIO)1HPURINE26(3H7H)DIONE
13DIMETHYL8(1METHYL2OXOPROPYLTHIO)7((4METHYLPHENYL)METHYL)137TRIHYDROPURINE26DIONE
476480054
CC1=CC=C(C=C1)CN2C3=C(N=C2SC(C)C(=O)C)N(C(=O)N(C3=O)C)C
InChI=1SC19H22N4O3Sc1116814(9711)10231516(2018(23)2713(3)12(2)24)21(4)19(26)22(5)17(15)25h6913H10H215H3
MFCD03933547
ZINC000000796272
ZINC000000796273

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Available files

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