Vitas-M small molecule compound
1-benzyl-2,6,6-trimethyl-3-(2,2,2-trichloroethyl)-1,5,6,7-tetrahydro-4H-indol-4-one
Catalog ID
STK677575
SMILES O=C1CC(C)(C)Cc2c1c(CC(Cl)(Cl)Cl)c(n2Cc1ccccc1)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 C20H22Cl3NO MW 398.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22Cl3NO/c1-13-15(9-20(21,22)23)18-16(10-19(2,3)11-17(18)25)24(13)12-14-7-5-4-6-8-14/h4-8H,9-12H2,1-3H3InChIKey
MUKORLJEKLUXDU-UHFFFAOYSA-NSynonyms
1benzyl266trimethyl3(222trichloroethyl)1567tetrahydro4Hindol4one
1BENZYL266TRIMETHYL3(222TRICHLOROETHYL)57DIHYDROINDOL4ONE
CC1=C(C2=C(N1CC3=CC=CC=C3)CC(CC2=O)(C)C)CC(Cl)(Cl)Cl
InChI=1SC20H22Cl3NOc11315(920(2122)23)1816(1019(23)1117(18)25)24(13)12147546814h48H912H213H3
MFCD02933725
ZINC000003672597
ZINC03672597
ZINC3672597
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