Vitas-M small molecule compound
2-(3-nitrophenyl)-2-oxoethyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoate
Catalog ID
STK204805
SMILES O=C(OCC(=O)c1cccc(c1)[N+](=O)[O-])CCC(=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 C20H17NO8 MW 399.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17NO8/c22-16(14-4-6-18-19(11-14)28-9-8-27-18)5-7-20(24)29-12-17(23)13-2-1-3-15(10-13)21(25)26/h1-4,6,10-11H,5,7-9,12H2InChIKey
NYKBZPHCXWVJED-UHFFFAOYSA-NSynonyms
(2(3NITROPHENYL)2OXOETHYL)4(23DIHYDRO14BENZODIOXIN6YL)4OXOBUTANOATE
2(3NITROPHENYL)2OXOETHYL4(23DIHYDRO14BENZODIOXIN6YL)4OXOBUTANOATE
C1COC2=C(O1)C=CC(=C2)C(=O)CCC(=O)OCC(=O)C3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC20H17NO8c2216(14461819(1114)28982718)5720(24)291217(23)1321315(1013)21(25)26h1461011H57912H2
MFCD03058451
O=C(OCC(=O)c1cccc(c1)(N+)(=O)(O))CCC(=O)c1ccc2c(c1)OCCO2
ZINC000004740689
ZINC04740689
ZINC4740689
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