Vitas-M small molecule compound

3-bromo-1-{2-[2-methyl-4-(3-methylbutyl)-5-oxotetrahydrofuran-2-yl]-2-oxoethyl}pyridinium (non-preferred name)

Catalog ID
STL147004
SMILES CC(CCC1CC(OC1=O)(C)C(=O)C[n+]1cccc(c1)Br)C

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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 C17H23BrNO3 MW 369.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H23BrNO3/c1-12(2)6-7-13-9-17(3,22-16(13)21)15(20)11-19-8-4-5-14(18)10-19/h4-5,8,10,12-13H,6-7,9,11H2,1-3H3/q+1
InChIKey
KMBZCPJMECMRIE-UHFFFAOYSA-N
Synonyms

3BROMO1(2((2R4S)2METHYL4(3METHYLBUTYL)5OXOTETRAHYDROFURAN2YL)2OXOETHYL)PYRIDINIUM(NONPREFERREDNAME)
3bromo1(2(2methyl4(3methylbutyl)5oxotetrahydrofuran2yl)2oxoethyl)pyridinium(nonpreferredname)
3bromo1(2(4isopentyl2methyl5oxotetrahydrofuran2yl)2oxoethyl)pyridin1iumbromide
5(2(3BROMOPYRIDIN1IUM1YL)ACETYL)5METHYL3(3METHYLBUTYL)OXOLAN2ONE
CC(C)CCC1CC(OC1=O)(C)C(=O)C(N+)2=CC=CC(=C2)Br
CC(CCC1CC(OC1=O)(C)C(=O)C(n+)1cccc(c1)Br)C
CC(CCC1CC(OC1=O)(C)C(=O)C(n+)1cccc(c1)Br)C(Br)
InChI=1SC17H23BrNO3c112(2)6713917(32216(13)21)15(20)111984514(18)1019h458101213H67911H213H3q+1
MFCD01554312
ZINC000001901544
ZINC000001901547

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Available files

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