Vitas-M small molecule compound

Catalog ID
STK370400
SMILES COCC1=CC2CC(C1)C[B-]1(C2)Oc2c3[n+]1cccc3ccc2

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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 C19H22BNO2 MW 307.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22BNO2/c1-22-13-16-9-14-8-15(10-16)12-20(11-14)21-7-3-5-17-4-2-6-18(23-20)19(17)21/h2-7,9,14-15H,8,10-13H2,1H3
InChIKey
ZZQIGLFBJAIMRS-UHFFFAOYSA-N
Synonyms

(B)12(CC3CC(C1)C=C(C3)COC)(N+)4=CC=CC5=C4C(=CC=C5)O2
COCC1=CC2CC(C1)C(B)1(C2)Oc2c3(n+)1cccc3ccc2
InChI=1SC19H22BNO2c1221316914815(1016)1220(1114)217351742618(2320)19(17)21h2791415H81013H21H3
MFCD00394833
ZINC000239439974
ZINC000239439975

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.