Vitas-M small molecule compound

3-[4-(ethoxycarbonyl)phenoxy]-4-oxo-8-(piperidinium-1-ylmethyl)-2-(trifluoromethyl)-4H-chromen-7-olate

Catalog ID
STK598438
SMILES CCOC(=O)c1ccc(cc1)Oc1c(=O)c2ccc(c(c2oc1C(F)(F)F)C[NH+]1CCCCC1)[O-]

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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 C25H24F3NO6 MW 491.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24F3NO6/c1-2-33-24(32)15-6-8-16(9-7-15)34-22-20(31)17-10-11-19(30)18(14-29-12-4-3-5-13-29)21(17)35-23(22)25(26,27)28/h6-11,30H,2-5,12-14H2,1H3
InChIKey
KZSAYTGOBCLTLH-UHFFFAOYSA-N
Synonyms
637752-62-6
3(4(ethoxycarbonyl)phenoxy)4oxo8(piperidinium1ylmethyl)2(trifluoromethyl)4Hchromen7olate
CCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3CN4CCCCC4)O)C(F)(F)F
CCOC(=O)c1ccc(cc1)Oc1c(=O)c2ccc(c(c2oc1C(F)(F)F)C(NH+)1CCCCC1)(O)
InChI=1SC25H24F3NO6c123324(32)156816(9715)342220(31)17101119(30)18(1429124351329)21(17)3523(22)25(2627)28h61130H251214H21H3
MFCD04166702
ZINC000009281399

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Available files

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