Vitas-M small molecule compound
2-(4-{4,4-dimethyl-2-[(4-methylphenyl)amino]-6-oxocyclohex-1-en-1-yl}-4-oxobutyl)-1H-isoindole-1,3(2H)-dione
Catalog ID
STK775463
SMILES Cc1ccc(cc1)NC1=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 C27H28N2O4 MW 444.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O4/c1-17-10-12-18(13-11-17)28-21-15-27(2,3)16-23(31)24(21)22(30)9-6-14-29-25(32)19-7-4-5-8-20(19)26(29)33/h4-5,7-8,10-13,28H,6,9,14-16H2,1-3H3InChIKey
NEZCQQBOIRMEMC-UHFFFAOYSA-NSynonyms
2(4(44dimethyl2((4methylphenyl)amino)6oxocyclohex1en1yl)4oxobutyl)1Hisoindole13(2H)dione
2(4(44DIMETHYL2(4METHYLANILINO)6OXOCYCLOHEXEN1YL)4OXOBUTYL)ISOINDOLE13DIONE
CC1=CC=C(C=C1)NC2=C(C(=O)CC(C2)(C)C)C(=O)CCCN3C(=O)C4=CC=CC=C4C3=O
InChI=1SC27H28N2O4c117101218(131117)28211527(23)1623(31)24(21)22(30)96142925(32)19745820(19)26(29)33h4578101328H691416H213H3
MFCD05257320
ZINC000012461657
ZINC12461657
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