Vitas-M small molecule compound

2-methoxyethyl 1,2-dimethyl-5-[(pentafluorobenzyl)oxy]-1H-indole-3-carboxylate

Catalog ID
STK924040
SMILES COCCOC(=O)c1c(C)n(c2c1cc(OCc1c(F)c(F)c(c(c1F)F)F)cc2)C

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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 C21H18F5NO4 MW 443.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18F5NO4/c1-10-15(21(28)30-7-6-29-3)12-8-11(4-5-14(12)27(10)2)31-9-13-16(22)18(24)20(26)19(25)17(13)23/h4-5,8H,6-7,9H2,1-3H3
InChIKey
PHMUTYQAMKBEFI-UHFFFAOYSA-N
Synonyms

2methoxyethyl12dimethyl5((23456pentafluorophenyl)methoxy)indole3carboxylate
2methoxyethyl12dimethyl5((pentafluorobenzyl)oxy)1Hindole3carboxylate
CC1=C(C2=C(N1C)C=CC(=C2)OCC3=C(C(=C(C(=C3F)F)F)F)F)C(=O)OCCOC
InChI=1SC21H18F5NO4c11015(21(28)3076293)12811(4514(12)27(10)2)3191316(22)18(24)20(26)19(25)17(13)23h458H679H213H3
MFCD04174028
ZINC000002429597
ZINC02429597
ZINC2429597

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.