Vitas-M small molecule compound
2-{4-(4,4-dimethyl-2,6-dioxocyclohexylidene)-4-[(3-methoxyphenyl)amino]butyl}-1H-isoindole-1,3(2H)-dione
Catalog ID
STK775476
SMILES COc1cccc(c1)NC(=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)15-22(30)24(23(31)16-27)21(28-17-8-6-9-18(14-17)34-3)12-7-13-29-25(32)19-10-4-5-11-20(19)26(29)33/h4-6,8-11,14,28H,7,12-13,15-16H2,1-3H3InChIKey
WALGNCLXOQILSA-UHFFFAOYSA-NSynonyms
2(4(44dimethyl26dioxocyclohexylidene)4((3methoxyphenyl)amino)butyl)1Hisoindole13(2H)dione
2(4(44DIMETHYL26DIOXOCYCLOHEXYLIDENE)4(3METHOXYANILINO)BUTYL)ISOINDOLE13DIONE
CC1(CC(=O)C(=C(CCCN2C(=O)C3=CC=CC=C3C2=O)NC4=CC(=CC=C4)OC)C(=O)C1)C
InChI=1SC27H28N2O5c127(2)1522(30)24(23(31)1627)21(281786918(1417)343)127132925(32)1910451120(19)26(29)33h468111428H712131516H213H3
MFCD05257341
ZINC000012402130
ZINC12402130
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