Vitas-M small molecule compound

7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-(propan-2-ylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STL003953
SMILES OC(Cn1c(SC(C)C)nc2c1c(=O)[nH]c(=O)n2C)COc1ccccc1C

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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 C19H24N4O4S MW 404.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H24N4O4S/c1-11(2)28-19-20-16-15(17(25)21-18(26)22(16)4)23(19)9-13(24)10-27-14-8-6-5-7-12(14)3/h5-8,11,13,24H,9-10H2,1-4H3,(H,21,25,26)
InChIKey
NVQSEQBVUMYANE-UHFFFAOYSA-N
Synonyms
332103-68-1
332103681
7(2hydroxy3(2methylphenoxy)propyl)3methyl8(propan2ylsulfanyl)37dihydro1Hpurine26dione
7(2HYDROXY3(2METHYLPHENOXY)PROPYL)3METHYL8PROPAN2YLSULFANYLPURINE26DIONE
7(2HYDROXY3(OTOLYLOXY)PROPYL)8(ISOPROPYLTHIO)3METHYL1HPURINE26(3H7H)DIONE
7(2HYDROXY3OTOLYLOXYPROPYL)8ISOPROPYLSULFANYL3METHYL37DIHYDROPURINE26DIONE
CC1=CC=CC=C1OCC(CN2C3=C(N=C2SC(C)C)N(C(=O)NC3=O)C)O
InChI=1SC19H24N4O4Sc111(2)2819201615(17(25)2118(26)22(16)4)23(19)913(24)102714865712(14)3h58111324H910H214H3(H212526)
MFCD01879825
OC(Cn1c(SC(C)C)nc2c1c(=O)(nH)c(=O)n2C)COc1ccccc1C
ZINC000000633289
ZINC000000850903

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Available files

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