Vitas-M small molecule compound
2-(4-{4,4-dimethyl-2-[(3-nitrophenyl)amino]-6-oxocyclohex-1-en-1-yl}-4-oxobutyl)-1H-isoindole-1,3(2H)-dione
Catalog ID
STK775468
SMILES O=C(C1=C(Nc2cccc(c2)[N+](=O)[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 C26H25N3O6 MW 475.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O6/c1-26(2)14-20(27-16-7-5-8-17(13-16)29(34)35)23(22(31)15-26)21(30)11-6-12-28-24(32)18-9-3-4-10-19(18)25(28)33/h3-5,7-10,13,27H,6,11-12,14-15H2,1-2H3InChIKey
XPMYKQVTIJHPTE-UHFFFAOYSA-NSynonyms
2(4(44dimethyl2((3nitrophenyl)amino)6oxocyclohex1en1yl)4oxobutyl)1Hisoindole13(2H)dione
2(4(44DIMETHYL2(3NITROANILINO)6OXOCYCLOHEXEN1YL)4OXOBUTYL)ISOINDOLE13DIONE
CC1(CC(=C(C(=O)C1)C(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)NC4=CC(=CC=C4)(N+)(=O)(O))C
InChI=1SC26H25N3O6c126(2)1420(271675817(1316)29(34)35)23(22(31)1526)21(30)116122824(32)189341019(18)25(28)33h357101327H611121415H212H3
MFCD05257325
O=C(C1=C(Nc2cccc(c2)(N+)(=O)(O))CC(CC1=O)(C)C)CCCN1C(=O)c2c(C1=O)cccc2
ZINC000100156985
ZINC100156985
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