Vitas-M small molecule compound

3-(4-chlorophenyl)-8-{[cyclohexyl(ethyl)ammonio]methyl}-4-oxo-2-(trifluoromethyl)-4H-chromen-7-olate

Catalog ID
STK575451
SMILES CC[NH+](C1CCCCC1)Cc1c([O-])ccc2c1oc(c(c2=O)c1ccc(cc1)Cl)C(F)(F)F

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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 C25H25ClF3NO3 MW 479.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25ClF3NO3/c1-2-30(17-6-4-3-5-7-17)14-19-20(31)13-12-18-22(32)21(15-8-10-16(26)11-9-15)24(25(27,28)29)33-23(18)19/h8-13,17,31H,2-7,14H2,1H3
InChIKey
OVHZLCNZAYAVFH-UHFFFAOYSA-N
Synonyms
307545-71-7
3(4CHLOROPHENYL)8((CYCLOHEXYL(ETHYL)AMINO)METHYL)7HYDROXY2(TRIFLUOROMETHYL)CHROMEN4ONE
3(4chlorophenyl)8((cyclohexyl(ethyl)ammonio)methyl)4oxo2(trifluoromethyl)4Hchromen7olate
3(4CHLOROPHENYL)8((CYCLOHEXYLETHYLAMINO)METHYL)7HYDROXY2(TRIFLUOROMETHYL)CHROMEN4ONE
307545717
CC(NH+)(C1CCCCC1)Cc1c((O))ccc2c1oc(c(c2=O)c1ccc(cc1)Cl)C(F)(F)F
CCN(CC1=C(C=CC2=C1OC(=C(C2=O)C3=CC=C(C=C3)Cl)C(F)(F)F)O)C4CCCCC4
InChI=1SC25H25ClF3NO3c1230(176435717)141920(31)13121822(32)21(1581016(26)11915)24(25(2728)29)3323(18)19h8131731H2714H21H3
MFCD02333214
ZINC000001771001
ZINC1771001

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Available files

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