Vitas-M small molecule compound

ethyl 3-[chloro(difluoro)methyl]-3-hydroxy-5,6-dimethyl-2-oxo-3,5-dihydro-2H-furo[2,3-f]indole-7-carboxylate

Catalog ID
STK771755
SMILES CCOC(=O)c1c(C)n(c2c1cc1OC(=O)C(c1c2)(O)C(Cl)(F)F)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 C16H14ClF2NO5 MW 373.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14ClF2NO5/c1-4-24-13(21)12-7(2)20(3)10-6-9-11(5-8(10)12)25-14(22)15(9,23)16(17,18)19/h5-6,23H,4H2,1-3H3
InChIKey
JEDWIUNTCJFMRL-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(N(C2=CC3=C(C=C21)OC(=O)C3(C(F)(F)Cl)O)C)C
ethyl3(chloro(difluoro)methyl)3hydroxy56dimethyl2oxo35dihydro2Hfuro(23f)indole7carboxylate
ETHYL3(CHLORO(DIFLUORO)METHYL)3HYDROXY56DIMETHYL2OXOFURO(23F)INDOLE7CARBOXYLATE
InChI=1SC16H14ClF2NO5c142413(21)127(2)20(3)106911(58(10)12)2514(22)15(923)16(1718)19h5623H4H213H3
MFCD03767564
ZINC000002503991
ZINC000002503992

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Available files

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