Vitas-M small molecule compound
3-methyl-7-(4-methylbenzyl)-8-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK098806
SMILES Cc1ccc(cc1)Cn1c(SCC(=O)c2ccc(cc2)[N+](=O)[O-])nc2c1c(=O)[nH]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 C22H19N5O5S MW 465.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N5O5S/c1-13-3-5-14(6-4-13)11-26-18-19(25(2)21(30)24-20(18)29)23-22(26)33-12-17(28)15-7-9-16(10-8-15)27(31)32/h3-10H,11-12H2,1-2H3,(H,24,29,30)InChIKey
MNNODONMBQRLSO-UHFFFAOYSA-NSynonyms
303969-77-9303969779
3METHYL7((4METHYLPHENYL)METHYL)8(2(4NITROPHENYL)2OXOETHYL)SULFANYLPURINE26DIONE
3METHYL7((4METHYLPHENYL)METHYL)8(2(4NITROPHENYL)2OXOETHYLTHIO)137TRIHYDROPURINE26DIONE
3METHYL7(4METHYLBENZYL)8((2(4NITROPHENYL)2OXOETHYL)SULFANYL)37DIHYDRO1HPURINE26DIONE
3METHYL7(4METHYLBENZYL)8((2(4NITROPHENYL)2OXOETHYL)THIO)1HPURINE26(3H7H)DIONE
CC1=CC=C(C=C1)CN2C3=C(N=C2SCC(=O)C4=CC=C(C=C4)(N+)(=O)(O))N(C(=O)NC3=O)C
Cc1ccc(cc1)Cn1c(SCC(=O)c2ccc(cc2)(N+)(=O)(O))nc2c1c(=O)(nH)c(=O)n2C
InChI=1SC22H19N5O5Sc1133514(6413)11261819(25(2)21(30)2420(18)29)2322(26)331217(28)157916(10815)27(31)32h310H1112H212H3(H242930)
MFCD01555907
STK098806
ZINC000008656823
ZINC08656823
ZINC8656823
Check stock
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