Vitas-M small molecule compound
8-{[bis(2-methylpropyl)ammonio]methyl}-3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-olate
Catalog ID
STK591177
SMILES CC(C[NH+](Cc1c([O-])ccc2c1oc(c(c2=O)c1ccc(cc1)Cl)C(F)(F)F)CC(C)C)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 C25H27ClF3NO3 MW 481.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27ClF3NO3/c1-14(2)11-30(12-15(3)4)13-19-20(31)10-9-18-22(32)21(16-5-7-17(26)8-6-16)24(25(27,28)29)33-23(18)19/h5-10,14-15,31H,11-13H2,1-4H3InChIKey
XZZJPARMGABTAH-UHFFFAOYSA-NSynonyms
448238-21-98((bis(2methylpropyl)ammonio)methyl)3(4chlorophenyl)4oxo2(trifluoromethyl)4Hchromen7olate
CC(C(NH+)(Cc1c((O))ccc2c1oc(c(c2=O)c1ccc(cc1)Cl)C(F)(F)F)CC(C)C)C
CC(C)CN(CC1=C(C=CC2=C1OC(=C(C2=O)C3=CC=C(C=C3)Cl)C(F)(F)F)O)CC(C)C
InChI=1SC25H27ClF3NO3c114(2)1130(1215(3)4)131920(31)1091822(32)21(165717(26)8616)24(25(2728)29)3323(18)19h510141531H1113H214H3
MFCD01650133
ZINC000001946497
Check stock
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Check stock on Vitas-MAvailable files
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