Vitas-M small molecule compound
3,3'-{[4-(dimethylamino)-3-nitrophenyl]methanediyl}bis(4-hydroxy-2H-chromen-2-one)
Catalog ID
STK330184
SMILES O=c1oc2ccccc2c(c1C(c1c(=O)oc2c(c1O)cccc2)c1ccc(c(c1)[N+](=O)[O-])N(C)C)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 C27H20N2O8 MW 500.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20N2O8/c1-28(2)17-12-11-14(13-18(17)29(34)35)21(22-24(30)15-7-3-5-9-19(15)36-26(22)32)23-25(31)16-8-4-6-10-20(16)37-27(23)33/h3-13,21,30-31H,1-2H3InChIKey
GQCASSHQNOUBBM-UHFFFAOYSA-NSynonyms
3((4(DIMETHYLAMINO)3NITROPHENYL)(2HYDROXY4OXOCHROMEN3YL)METHYL)2HYDROXYCHROMEN4ONE
3((4(dimethylamino)3nitrophenyl)(4hydroxy2oxochromen3yl)methyl)4hydroxychromen2one
33((4(dimethylamino)3nitrophenyl)methanediyl)bis(4hydroxy2Hchromen2one)
CN(C)C1=C(C=C(C=C1)C(C2=C(C3=CC=CC=C3OC2=O)O)C4=C(C5=CC=CC=C5OC4=O)O)(N+)(=O)(O)
InChI=1SC27H20N2O8c128(2)17121114(1318(17)29(34)35)21(2224(30)15735919(15)3626(22)32)2325(31)168461020(16)3727(23)33h313213031H12H3
MFCD02286342
O=c1oc2ccccc2c(c1C(c1c(=O)oc2c(c1O)cccc2)c1ccc(c(c1)(N+)(=O)(O))N(C)C)O
ZINC000018193017
ZINC18193017
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