Vitas-M small molecule compound

3-[2-(4-tert-butyl-2,6-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-(prop-2-yn-1-yl)-1,3-dihydro-2H-indol-2-one

Catalog ID
STK213042
SMILES C#CCN1c2ccccc2C(C1=O)(O)CC(=O)c1c(C)cc(cc1C)C(C)(C)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 C25H27NO3 MW 389.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27NO3/c1-7-12-26-20-11-9-8-10-19(20)25(29,23(26)28)15-21(27)22-16(2)13-18(14-17(22)3)24(4,5)6/h1,8-11,13-14,29H,12,15H2,2-6H3
InChIKey
YXMFSBJSHCBFFU-UHFFFAOYSA-N
Synonyms

3(2(4tertbutyl26dimethylphenyl)2oxoethyl)3hydroxy1(prop2yn1yl)13dihydro2Hindol2one
3(2(4TERTBUTYL26DIMETHYLPHENYL)2OXOETHYL)3HYDROXY1PROP2YNYLINDOL2ONE
CC1=CC(=CC(=C1C(=O)CC2(C3=CC=CC=C3N(C2=O)CC#C)O)C)C(C)(C)C
InChI=1SC25H27NO3c1712262011981019(20)25(2923(26)28)1521(27)2216(2)1318(1417(22)3)24(45)6h1811131429H1215H226H3
MFCD06007419
ZINC000001066801
ZINC000001066802

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Available files

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