Vitas-M small molecule compound

2-{4-(4,4-dimethyl-2,6-dioxocyclohexylidene)-4-[(2-methoxyphenyl)amino]butyl}-1H-isoindole-1,3(2H)-dione

Catalog ID
STK775475
SMILES COc1ccccc1NC(=C1C(=O)CC(CC1=O)(C)C)CCCN1C(=O)c2c(C1=O)cccc2

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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)15-21(30)24(22(31)16-27)20(28-19-11-6-7-13-23(19)34-3)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
ARFIOXQORAGYLT-UHFFFAOYSA-N
Synonyms

2(4(44dimethyl26dioxocyclohexylidene)4((2methoxyphenyl)amino)butyl)1Hisoindole13(2H)dione
2(4(44DIMETHYL26DIOXOCYCLOHEXYLIDENE)4(2METHOXYANILINO)BUTYL)ISOINDOLE13DIONE
CC1(CC(=O)C(=C(CCCN2C(=O)C3=CC=CC=C3C2=O)NC4=CC=CC=C4OC)C(=O)C1)C
InChI=1SC27H28N2O5c127(2)1521(30)24(22(31)1627)20(281911671323(19)343)128142925(32)179451018(17)26(29)33h479111328H8121416H213H3
MFCD05257340
ZINC000012402134
ZINC12402134

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Available files

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