Vitas-M small molecule compound
8-{[benzyl(methyl)ammonio]methyl}-3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-olate
Catalog ID
STK586614
SMILES C[NH+](Cc1c([O-])ccc2c1oc(c(c2=O)Oc1ccccc1Br)C(F)(F)F)Cc1ccccc1
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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 C25H19BrF3NO4 MW 534.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19BrF3NO4/c1-30(13-15-7-3-2-4-8-15)14-17-19(31)12-11-16-21(32)23(24(25(27,28)29)34-22(16)17)33-20-10-6-5-9-18(20)26/h2-12,31H,13-14H2,1H3InChIKey
GALWGXXDZJDEHQ-UHFFFAOYSA-NSynonyms
369395-20-03(2BROMOPHENOXY)7HYDROXY8((METHYLBENZYLAMINO)METHYL)2(TRIFLUOROMETHYL)CHROMEN4ONE
369395200
8((BENZYL(METHYL)AMINO)METHYL)3(2BROMOPHENOXY)7HYDROXY2(TRIFLUOROMETHYL)CHROMEN4ONE
8((benzyl(methyl)ammonio)methyl)3(2bromophenoxy)4oxo2(trifluoromethyl)4Hchromen7olate
8((benzyl(methyl)azaniumyl)methyl)3(2bromophenoxy)4oxo2(trifluoromethyl)chromen7olate
C(NH+)(CC1=CC=CC=C1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=CC=C4Br)C(F)(F)F)(O)
C(NH+)(Cc1c((O))ccc2c1oc(c(c2=O)Oc1ccccc1Br)C(F)(F)F)Cc1ccccc1
InChI=1SC25H19BrF3NO4c130(13157324815)141719(31)12111621(32)23(24(25(2728)29)3422(16)17)33201065918(20)26h21231H1314H21H3
MFCD02072003
ZINC000095670565
ZINC95670565
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