Vitas-M small molecule compound

2-(4-nitrophenyl)-2-oxoethyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoate

Catalog ID
STK204804
SMILES O=C(OCC(=O)c1ccc(cc1)[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(14-3-7-18-19(11-14)28-10-9-27-18)6-8-20(24)29-12-17(23)13-1-4-15(5-2-13)21(25)26/h1-5,7,11H,6,8-10,12H2
InChIKey
WFRLKRMTYFMAMW-UHFFFAOYSA-N
Synonyms

(2(4NITROPHENYL)2OXOETHYL)4(23DIHYDRO14BENZODIOXIN6YL)4OXOBUTANOATE
2(4NITROPHENYL)2OXOETHYL4(23DIHYDRO14BENZODIOXIN6YL)4OXOBUTANOATE
C1COC2=C(O1)C=CC(=C2)C(=O)CCC(=O)OCC(=O)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC20H17NO8c2216(14371819(1114)281092718)6820(24)291217(23)131415(5213)21(25)26h15711H681012H2
MFCD03059030
O=C(OCC(=O)c1ccc(cc1)(N+)(=O)(O))CCC(=O)c1ccc2c(c1)OCCO2
ZINC000004740688
ZINC04740688
ZINC4740688

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Available files

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