Vitas-M small molecule compound
1,3,7-trimethyl-8-({1-[2-(morpholin-4-yl)-2-oxoethyl]-3-nitro-1H-1,2,4-triazol-5-yl}sulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK780198
SMILES O=C(N1CCOCC1)Cn1nc(nc1Sc1nc2c(n1C)c(=O)n(c(=O)n2C)C)[N+](=O)[O-]
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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 C16H19N9O6S MW 465.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19N9O6S/c1-20-10-11(21(2)16(28)22(3)12(10)27)17-14(20)32-15-18-13(25(29)30)19-24(15)8-9(26)23-4-6-31-7-5-23/h4-8H2,1-3H3InChIKey
ZJJALSVXGIGWJK-UHFFFAOYSA-NSynonyms
137trimethyl8((1(2(morpholin4yl)2oxoethyl)3nitro1H124triazol5yl)sulfanyl)37dihydro1Hpurine26dione
137TRIMETHYL8((2(2MORPHOLIN4YL2OXOETHYL)5NITRO124TRIAZOL3YL)SULFANYL)PURINE26DIONE
CN1C2=C(N=C1SC3=NC(=NN3CC(=O)N4CCOCC4)(N+)(=O)(O))N(C(=O)N(C2=O)C)C
InChI=1SC16H19N9O6Sc1201011(21(2)16(28)22(3)12(10)27)1714(20)32151813(25(29)30)1924(15)89(26)2346317523h48H213H3
MFCD05859905
O=C(N1CCOCC1)Cn1nc(nc1Sc1nc2c(n1C)c(=O)n(c(=O)n2C)C)(N+)(=O)(O)
ZINC000014943719
ZINC14943719
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