Vitas-M small molecule compound

ethyl (5Z)-2-methyl-4-oxo-5-[2-(trifluoromethyl)benzylidene]-4,5-dihydro-1H-pyrrole-3-carboxylate

Catalog ID
STK160218
SMILES CCOC(=O)C1=C(C)N/C(=C\c2ccccc2C(F)(F)F)/C1=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 C16H14F3NO3 MW 325.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14F3NO3/c1-3-23-15(22)13-9(2)20-12(14(13)21)8-10-6-4-5-7-11(10)16(17,18)19/h4-8,20H,3H2,1-2H3/b12-8-
InChIKey
HDBBGSLUKMZQDN-WQLSENKSSA-N
Synonyms

CCOC(=O)C1=C(C)NC(=Cc2ccccc2C(F)(F)F)C1=O
CCOC(=O)C1=C(NC(=CC2=CC=CC=C2C(F)(F)F)C1=O)C
ETHYL(5Z)2METHYL4OXO5((2(TRIFLUOROMETHYL)PHENYL)METHYLIDENE)1HPYRROLE3CARBOXYLATE
ETHYL(5Z)2METHYL4OXO5(2(TRIFLUOROMETHYL)BENZYLIDENE)45DIHYDRO1HPYRROLE3CARBOXYLATE
InChI=1SC16H14F3NO3c132315(22)139(2)2012(14(13)21)810645711(10)16(1718)19h4820H3H212H3b128
MFCD03711521
ZINC000018265403
ZINC18265403

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Available files

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