Vitas-M small molecule compound

tert-butyl [4-cyano-2-hydroxy-5-methyl-3-(trifluoromethyl)-3H-pyrrol-3-yl]carbamate

Catalog ID
STL410402
SMILES N#CC1=C(C)N=C(C1(NC(=O)OC(C)(C)C)C(F)(F)F)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 C12H14F3N3O3 MW 305.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14F3N3O3/c1-6-7(5-16)11(8(19)17-6,12(13,14)15)18-9(20)21-10(2,3)4/h1-4H3,(H,17,19)(H,18,20)
InChIKey
UVERQNAUKMELTG-UHFFFAOYSA-N
Synonyms
1574401-29-8
1574401298
CC1=C(C(C(=O)N1)(C(F)(F)F)NC(=O)OC(C)(C)C)C#N
InChI=1SC12H14F3N3O3c167(516)11(8(19)17612(1314)15)189(20)2110(23)4h14H3(H1719)(H1820)
MFCD30706187
tertbutyl(4cyano2hydroxy5methyl3(trifluoromethyl)3Hpyrrol3yl)carbamate
tertbutylN(4cyano5methyl2oxo3(trifluoromethyl)1Hpyrrol3yl)carbamate
ZINC000108452728
ZINC000108452731

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Available files

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