Vitas-M small molecule compound

{4-(amino-kappaN)-3-[1-(butylimino-kappaN)ethyl]-5,5,5-trifluoropent-3-en-2-onato}(diphenyl)boron

Catalog ID
STK151492
SMILES CCCC[N+]1=C(C)C(=C(N[B-]1(c1ccccc1)c1ccccc1)C(F)(F)F)C(=O)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 C23H26BF3N2O MW 414.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26BF3N2O/c1-4-5-16-29-17(2)21(18(3)30)22(23(25,26)27)28-24(29,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,28H,4-5,16H2,1-3H3
InChIKey
HVGBJMDWBFBPEE-UHFFFAOYSA-N
Synonyms

(4(AMINOKAPPAN)3(1(BUTYLIMINOKAPPAN)ETHYL)555TRIFLUOROPENT3EN2ONATO)(DIPHENYL)BORON
(B)1(NC(=C(C(=(N+)1CCCC)C)C(=O)C)C(F)(F)F)(C2=CC=CC=C2)C3=CC=CC=C3
1(1BUTYL6METHYL22DIPHENYL4(TRIFLUOROMETHYL)3AZA1AZONIA2BORANUIDACYCLOHEXA46DIEN5YL)ETHANONE
CCCC(N+)1=C(C)C(=C(N(B)1(c1ccccc1)c1ccccc1)C(F)(F)F)C(=O)C
InChI=1SC23H26BF3N2Oc145162917(2)21(18(3)30)22(23(2526)27)2824(2919128691319)2014107111520h61528H4516H213H3
MFCD03447882
ZINC000334157482
ZINC169804019

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Available files

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