Vitas-M small molecule compound
2-(4-{2-[(4-methoxyphenyl)amino]-4,4-dimethyl-6-oxocyclohex-1-en-1-yl}-4-oxobutyl)-1H-isoindole-1,3(2H)-dione
Catalog ID
STK775465
SMILES COc1ccc(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 C27H28N2O5 MW 460.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O5/c1-27(2)15-21(28-17-10-12-18(34-3)13-11-17)24(23(31)16-27)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
OHXVKMNOKGFLKM-UHFFFAOYSA-NSynonyms
2(4(2((4methoxyphenyl)amino)44dimethyl6oxocyclohex1en1yl)4oxobutyl)1Hisoindole13(2H)dione
2(4(2(4METHOXYANILINO)44DIMETHYL6OXOCYCLOHEXEN1YL)4OXOBUTYL)ISOINDOLE13DIONE
CC1(CC(=C(C(=O)C1)C(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)NC4=CC=C(C=C4)OC)C
InChI=1SC27H28N2O5c127(2)1521(2817101218(343)131117)24(23(31)1627)22(30)96142925(32)19745820(19)26(29)33h4578101328H691416H213H3
MFCD05257322
ZINC000012402103
ZINC12402103
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