Vitas-M small molecule compound

(3-acetyl-4-oxidoquinoxalin-2-yl)methyl 4-tert-butylbenzoate

Catalog ID
STL236119
SMILES O=C(c1ccc(cc1)C(C)(C)C)OCc1nc2ccccc2[n+](c1C(=O)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 C22H22N2O4 MW 378.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O4/c1-14(25)20-18(23-17-7-5-6-8-19(17)24(20)27)13-28-21(26)15-9-11-16(12-10-15)22(2,3)4/h5-12H,13H2,1-4H3
InChIKey
XMXFECUWXRGLLD-UHFFFAOYSA-N
Synonyms
849031-23-8
(3acetyl4oxidoquinoxalin2yl)methyl4tertbutylbenzoate
(3ACETYL4OXIDOQUINOXALIN4IUM2YL)METHYL4TERTBUTYLBENZOATE
2acetyl3(((4(tertbutyl)benzoyl)oxy)methyl)quinoxaline1oxide
849031238
CC(=O)C1=(N+)(C2=CC=CC=C2N=C1COC(=O)C3=CC=C(C=C3)C(C)(C)C)(O)
InChI=1SC22H22N2O4c114(25)2018(2317756819(17)24(20)27)132821(26)1591116(121015)22(23)4h512H13H214H3
MFCD05681923
O=C(c1ccc(cc1)C(C)(C)C)OCc1nc2ccccc2(n+)(c1C(=O)C)(O)
ZINC000002454294
ZINC02454294
ZINC2454294

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Available files

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