Vitas-M small molecule compound
2-[4-(benzylamino)-4-(4,4-dimethyl-2,6-dioxocyclohexylidene)butyl]-1H-isoindole-1,3(2H)-dione
Catalog ID
STK683088
SMILES O=C1CC(C)(C)CC(=O)C1=C(NCc1ccccc1)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 C27H28N2O4 MW 444.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O4/c1-27(2)15-22(30)24(23(31)16-27)21(28-17-18-9-4-3-5-10-18)13-8-14-29-25(32)19-11-6-7-12-20(19)26(29)33/h3-7,9-12,28H,8,13-17H2,1-2H3InChIKey
MSEHAMCQOVOPCJ-UHFFFAOYSA-NSynonyms
2(4(benzylamino)4(44dimethyl26dioxocyclohexylidene)butyl)1Hisoindole13(2H)dione
2(4(BENZYLAMINO)4(44DIMETHYL26DIOXOCYCLOHEXYLIDENE)BUTYL)ISOINDOLE13DIONE
CC1(CC(=O)C(=C(CCCN2C(=O)C3=CC=CC=C3C2=O)NCC4=CC=CC=C4)C(=O)C1)C
InChI=1SC27H28N2O4c127(2)1522(30)24(23(31)1627)21(28171894351018)138142925(32)1911671220(19)26(29)33h3791228H81317H212H3
MFCD04061996
ZINC000100154959
ZINC100154959
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