Vitas-M small molecule compound
5-{5-[(E)-2-(2,6-dihydroxy-5-nitropyrimidin-4-yl)ethenyl]furan-2-yl}-1H-isoindole-1,3(2H)-dione
Catalog ID
STK379199
SMILES Oc1nc(/C=C/c2ccc(o2)c2ccc3c(c2)C(=O)NC3=O)c(c(n1)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 C18H10N4O7 MW 394.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H10N4O7/c23-15-10-4-1-8(7-11(10)16(24)20-15)13-6-3-9(29-13)2-5-12-14(22(27)28)17(25)21-18(26)19-12/h1-7H,(H,20,23,24)(H2,19,21,25,26)/b5-2+InChIKey
BLBHRXMEEQXVDI-GORDUTHDSA-NSynonyms
5(5((1E)2(26DIHYDROXY5NITROPYRIMIDIN4YL)VINYL)2FURYL)2HBENZO(C)AZOLINE13DIONE
5(5((E)2(26dihydroxy5nitropyrimidin4yl)ethenyl)furan2yl)1Hisoindole13(2H)dione
5(5((E)2(5NITRO24DIOXO1HPYRIMIDIN6YL)ETHENYL)FURAN2YL)ISOINDOLE13DIONE
C1=CC2=C(C=C1C3=CC=C(O3)C=CC4=C(C(=O)NC(=O)N4)(N+)(=O)(O))C(=O)NC2=O
InChI=1SC18H10N4O7c231510418(711(10)16(24)2015)13639(2913)251214(22(27)28)17(25)2118(26)1912h17H(H202324)(H219212526)b52+
MFCD01929426
Oc1nc(C=Cc2ccc(o2)c2ccc3c(c2)C(=O)NC3=O)c(c(n1)O)(N+)(=O)(O)
ZINC000008860813
ZINC8860813
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