Vitas-M small molecule compound

1,3-dimethyl-6,7-dinitro-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione

Catalog ID
STK792895
SMILES Cn1c(=O)c2[nH]c(c(c2n(c1=O)C)[N+](=O)[O-])[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 C8H7N5O6 MW 269.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H7N5O6/c1-10-4-3(7(14)11(2)8(10)15)9-6(13(18)19)5(4)12(16)17/h9H,1-2H3
InChIKey
SWKMIZVYJHRLFU-UHFFFAOYSA-N
Synonyms

13dimethyl67dinitro1Hpyrrolo(32d)pyrimidine24(3H5H)dione
13DIMETHYL67DINITRO5HPYRROLO(32D)PYRIMIDINE24DIONE
Cn1c(=O)c2(nH)c(c(c2n(c1=O)C)(N+)(=O)(O))(N+)(=O)(O)
CN1C2=C(C(=O)N(C1=O)C)NC(=C2(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC8H7N5O6c11043(7(14)11(2)8(10)15)96(13(18)19)5(4)12(16)17h9H12H3
MFCD06015173
ZINC000012427884
ZINC12427884

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Available files

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