Vitas-M small molecule compound
3-[4-(ethoxycarbonyl)phenoxy]-4-oxo-8-(pyrrolidinium-1-ylmethyl)-2-(trifluoromethyl)-4H-chromen-7-olate
Catalog ID
STK572807
SMILES CCOC(=O)c1ccc(cc1)Oc1c(=O)c2ccc(c(c2oc1C(F)(F)F)C[NH+]1CCCC1)[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 C24H22F3NO6 MW 477.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22F3NO6/c1-2-32-23(31)14-5-7-15(8-6-14)33-21-19(30)16-9-10-18(29)17(13-28-11-3-4-12-28)20(16)34-22(21)24(25,26)27/h5-10,29H,2-4,11-13H2,1H3InChIKey
AJIIYAUTYSIHSL-UHFFFAOYSA-NSynonyms
845660-71-13(4(ethoxycarbonyl)phenoxy)4oxo8(pyrrolidinium1ylmethyl)2(trifluoromethyl)4Hchromen7olate
CCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3CN4CCCC4)O)C(F)(F)F
CCOC(=O)c1ccc(cc1)Oc1c(=O)c2ccc(c(c2oc1C(F)(F)F)C(NH+)1CCCC1)(O)
InChI=1SC24H22F3NO6c123223(31)145715(8614)332119(30)1691018(29)17(132811341228)20(16)3422(21)24(2526)27h51029H241113H21H3
MFCD04168201
ZINC000002415862
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