Vitas-M small molecule compound
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-4-oxo-4H-chromen-7-yl 3-nitrobenzoate
Catalog ID
STK888876
SMILES CCc1cc2c(cc1OC(=O)c1cccc(c1)[N+](=O)[O-])occ(c2=O)c1ccc2c(c1)OCCO2
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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 C26H19NO8 MW 473.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19NO8/c1-2-15-11-19-23(13-22(15)35-26(29)17-4-3-5-18(10-17)27(30)31)34-14-20(25(19)28)16-6-7-21-24(12-16)33-9-8-32-21/h3-7,10-14H,2,8-9H2,1H3InChIKey
LDBJYXQMVMOOMO-UHFFFAOYSA-NSynonyms
610753-62-3(3(23DIHYDRO14BENZODIOXIN6YL)6ETHYL4OXOCHROMEN7YL)3NITROBENZOATE
3(23dihydro14benzodioxin6yl)6ethyl4oxo4Hchromen7yl3nitrobenzoate
3(23DIHYDROBENZO(B)(14)DIOXIN6YL)6ETHYL4OXO4HCHROMEN7YL3NITROBENZOATE
3(2H3HBENZO(34E)14DIOXAN6YL)6ETHYL4OXOCHROMEN7YL3NITROBENZOATE
610753623
CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCO4)OC(=O)C5=CC(=CC=C5)(N+)(=O)(O)
CCc1cc2c(cc1OC(=O)c1cccc(c1)(N+)(=O)(O))occ(c2=O)c1ccc2c(c1)OCCO2
InChI=1SC26H19NO8c1215111923(1322(15)3526(29)1743518(1017)27(30)31)341420(25(19)28)16672124(1216)33983221h371014H289H21H3
MFCD03853996
ZINC000001126754
ZINC01126754
ZINC1126754
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