Vitas-M small molecule compound
2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide
Catalog ID
STK771376
SMILES O=C(C(Sc1nc2c(n1C)c(=O)n(c(=O)n2C)C)C)Nc1c(C)cc(cc1C)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 C20H25N5O3S MW 415.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N5O3S/c1-10-8-11(2)14(12(3)9-10)21-17(26)13(4)29-19-22-16-15(23(19)5)18(27)25(7)20(28)24(16)6/h8-9,13H,1-7H3,(H,21,26)InChIKey
XIEKSQZXNHRIGY-UHFFFAOYSA-NSynonyms
665013-39-82((137trimethyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)N(246trimethylphenyl)propanamide
2(137TRIMETHYL26DIOXOPURIN8YL)SULFANYLN(246TRIMETHYLPHENYL)PROPANAMIDE
665013398
CC1=CC(=C(C(=C1)C)NC(=O)C(C)SC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C)C
InChI=1SC20H25N5O3Sc110811(2)14(12(3)910)2117(26)13(4)2919221615(23(19)5)18(27)25(7)20(28)24(16)6h8913H17H3(H2126)
MFCD03196859
Nmesityl2((137trimethyl26dioxo2367tetrahydro1Hpurin8yl)thio)propanamide
ZINC000000804454
ZINC000000804456
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