Vitas-M small molecule compound

1-(2-hydroxyethyl)-7,9-dimethyl-3-(3-nitrophenyl)-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione

Catalog ID
STL344305
SMILES OCCN1N=C(Cn2c1nc1c2c(=O)n(c(=O)n1C)C)c1cccc(c1)[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 C17H17N7O5 MW 399.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N7O5/c1-20-14-13(15(26)21(2)17(20)27)22-9-12(19-23(6-7-25)16(22)18-14)10-4-3-5-11(8-10)24(28)29/h3-5,8,25H,6-7,9H2,1-2H3
InChIKey
SJBHAXQQNODGFM-UHFFFAOYSA-N
Synonyms
673490-07-8
1(2hydroxyethyl)79dimethyl3(3nitrophenyl)14dihydro(124)triazino(34f)purine68(7H9H)dione
1(2HYDROXYETHYL)79DIMETHYL3(3NITROPHENYL)4HPURINO(87C)(124)TRIAZINE68DIONE
1(2hydroxyethyl)79dimethyl3(3nitrophenyl)79dihydro(124)triazino(34f)purine68(1H4H)dione
673490078
CN1C2=C(C(=O)N(C1=O)C)N3CC(=NN(C3=N2)CCO)C4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC17H17N7O5c1201413(15(26)21(2)17(20)27)22912(1923(6725)16(22)1814)1043511(810)24(28)29h35825H679H212H3
MFCD04072548
OCCN1N=C(Cn2c1nc1c2c(=O)n(c(=O)n1C)C)c1cccc(c1)(N+)(=O)(O)
ZINC000009282448
ZINC09282448
ZINC9282448

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Available files

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