Vitas-M small molecule compound
3-[4-(methoxycarbonyl)phenoxy]-4-oxo-8-(pyrrolidinium-1-ylmethyl)-2-(trifluoromethyl)-4H-chromen-7-olate
Catalog ID
STK590298
SMILES COC(=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 C23H20F3NO6 MW 463.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20F3NO6/c1-31-22(30)13-4-6-14(7-5-13)32-20-18(29)15-8-9-17(28)16(12-27-10-2-3-11-27)19(15)33-21(20)23(24,25)26/h4-9,28H,2-3,10-12H2,1H3InChIKey
HCRUDIFAETXJLR-UHFFFAOYSA-NSynonyms
848669-72-73(4(methoxycarbonyl)phenoxy)4oxo8(pyrrolidinium1ylmethyl)2(trifluoromethyl)4Hchromen7olate
COC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3CN4CCCC4)O)C(F)(F)F
COC(=O)c1ccc(cc1)Oc1c(=O)c2ccc(c(c2oc1C(F)(F)F)C(NH+)1CCCC1)(O)
InChI=1SC23H20F3NO6c13122(30)134614(7513)322018(29)158917(28)16(122710231127)19(15)3321(20)23(2425)26h4928H231012H21H3
METHYL4(7HYDROXY4OXO8(PYRROLIDIN1YLMETHYL)2(TRIFLUOROMETHYL)CHROMEN3YL)OXYBENZOATE
METHYL4(7HYDROXY4OXO8(PYRROLIDINYLMETHYL)2(TRIFLUOROMETHYL)CHROMEN3YLOXY)BENZOATE
MFCD04190350
ZINC000002425851
ZINC2425851
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