Vitas-M small molecule compound

2-(4-{2-[(2-methoxyphenyl)amino]-4,4-dimethyl-6-oxocyclohex-1-en-1-yl}-4-oxobutyl)-1H-isoindole-1,3(2H)-dione

Catalog ID
STK775462
SMILES COc1ccccc1NC1=C(C(=O)CCCN2C(=O)c3c(C2=O)cccc3)C(=O)CC(C1)(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 C27H28N2O5 MW 460.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O5/c1-27(2)15-20(28-19-11-6-7-13-23(19)34-3)24(22(31)16-27)21(30)12-8-14-29-25(32)17-9-4-5-10-18(17)26(29)33/h4-7,9-11,13,28H,8,12,14-16H2,1-3H3
InChIKey
YDVQDCXMJVMOSZ-UHFFFAOYSA-N
Synonyms

2(4(2((2methoxyphenyl)amino)44dimethyl6oxocyclohex1en1yl)4oxobutyl)1Hisoindole13(2H)dione
2(4(2(2METHOXYANILINO)44DIMETHYL6OXOCYCLOHEXEN1YL)4OXOBUTYL)ISOINDOLE13DIONE
CC1(CC(=C(C(=O)C1)C(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)NC4=CC=CC=C4OC)C
InChI=1SC27H28N2O5c127(2)1520(281911671323(19)343)24(22(31)1627)21(30)128142925(32)179451018(17)26(29)33h479111328H8121416H213H3
MFCD05257319
ZINC000012402111
ZINC12402111

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Available files

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