Vitas-M small molecule compound

8-[(4-methylpiperidinium-1-yl)methyl]-3-(naphthalen-2-yloxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-olate

Catalog ID
STK579679
SMILES CC1CC[NH+](CC1)Cc1c([O-])ccc2c1oc(c(c2=O)Oc1ccc2c(c1)cccc2)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 C27H24F3NO4 MW 483.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24F3NO4/c1-16-10-12-31(13-11-16)15-21-22(32)9-8-20-23(33)25(26(27(28,29)30)35-24(20)21)34-19-7-6-17-4-2-3-5-18(17)14-19/h2-9,14,16,32H,10-13,15H2,1H3
InChIKey
BGJZAVLLBGHOOF-UHFFFAOYSA-N
Synonyms
383904-30-1
383904301
7HYDROXY8((4METHYL1PIPERIDINYL)METHYL)3(2NAPHTHYLOXY)2(TRIFLUOROMETHYL)4HCHROMEN4ONE
7HYDROXY8((4METHYLPIPERIDIN1YL)METHYL)3NAPHTHALEN2YLOXY2(TRIFLUOROMETHYL)CHROMEN4ONE
7HYDROXY8((4METHYLPIPERIDYL)METHYL)3(2NAPHTHYLOXY)2(TRIFLUOROMETHYL)CHROMEN4ONE
8((4methylpiperidinium1yl)methyl)3(naphthalen2yloxy)4oxo2(trifluoromethyl)4Hchromen7olate
CC1CC(NH+)(CC1)Cc1c((O))ccc2c1oc(c(c2=O)Oc1ccc2c(c1)cccc2)C(F)(F)F
CC1CCN(CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC5=CC=CC=C5C=C4)C(F)(F)F)O
InChI=1SC27H24F3NO4c116101231(131116)152122(32)982023(33)25(26(27(2829)30)3524(20)21)34197617423518(17)1419h29141632H101315H21H3
MFCD02359890
ZINC000004290111
ZINC4290111

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Available files

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