Vitas-M small molecule compound
8-[(dibutylammonio)methyl]-3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-olate
Catalog ID
STK848220
SMILES CCCC[NH+](Cc1c([O-])ccc2c1oc(c(c2=O)Oc1ccc(cc1)OC)C(F)(F)F)CCCC
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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 C26H30F3NO5 MW 493.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30F3NO5/c1-4-6-14-30(15-7-5-2)16-20-21(31)13-12-19-22(32)24(25(26(27,28)29)35-23(19)20)34-18-10-8-17(33-3)9-11-18/h8-13,31H,4-7,14-16H2,1-3H3InChIKey
CPEFQCYOBCNXHJ-UHFFFAOYSA-NSynonyms
371144-11-5371144115
8((DIBUTYLAMINO)METHYL)7HYDROXY3(4METHOXYPHENOXY)2(TRIFLUOROMETHYL)CHROMEN4ONE
8((dibutylammonio)methyl)3(4methoxyphenoxy)4oxo2(trifluoromethyl)4Hchromen7olate
CCCC(NH+)(Cc1c((O))ccc2c1oc(c(c2=O)Oc1ccc(cc1)OC)C(F)(F)F)CCCC
CCCCN(CCCC)CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC=C(C=C3)OC)C(F)(F)F)O
InChI=1SC26H30F3NO5c1461430(15752)162021(31)13121922(32)24(25(26(2728)29)3523(19)20)341810817(333)91118h81331H471416H213H3
MFCD02341841
ZINC000019789775
ZINC19789775
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