Vitas-M small molecule compound

2-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-nitro-1H-isoindole-1,3(2H)-dione

Catalog ID
STK010143
SMILES O=c1[nH]cc(c(=O)[nH]1)N1C(=O)c2c(C1=O)cc(cc2)[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 C12H6N4O6 MW 302.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H6N4O6/c17-9-8(4-13-12(20)14-9)15-10(18)6-2-1-5(16(21)22)3-7(6)11(15)19/h1-4H,(H2,13,14,17,20)
InChIKey
AQEIWTPHXYGWNO-UHFFFAOYSA-N
Synonyms

2(24dioxo1234tetrahydropyrimidin5yl)5nitro1Hisoindole13(2H)dione
2(24DIOXO1HPYRIMIDIN5YL)5NITROISOINDOLE13DIONE
C1=CC2=C(C=C1(N+)(=O)(O))C(=O)N(C2=O)C3=CNC(=O)NC3=O
InChI=1SC12H6N4O6c1798(41312(20)149)1510(18)6215(16(21)22)37(6)11(15)19h14H(H213141720)
MFCD00487910
O=c1(nH)cc(c(=O)(nH)1)N1C(=O)c2c(C1=O)cc(cc2)(N+)(=O)(O)
STK010143
ZINC000000059044
ZINC00059044
ZINC59044

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Available files

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