Vitas-M small molecule compound
methyl 3-[(2-cyclohexyl-3-oxo-2,3,4,5,6,7-hexahydro-1H-isoindol-1-yl)amino]-3-(4-fluoro-3-phenoxyphenyl)propanoate
Catalog ID
STK043769
SMILES COC(=O)CC(c1ccc(c(c1)Oc1ccccc1)F)NC1N(C2CCCCC2)C(=O)C2=C1CCCC2
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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 C30H35FN2O4 MW 506.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H35FN2O4/c1-36-28(34)19-26(20-16-17-25(31)27(18-20)37-22-12-6-3-7-13-22)32-29-23-14-8-9-15-24(23)30(35)33(29)21-10-4-2-5-11-21/h3,6-7,12-13,16-18,21,26,29,32H,2,4-5,8-11,14-15,19H2,1H3InChIKey
RKYPFRYHIFPQBL-UHFFFAOYSA-NSynonyms
COC(=O)CC(C1=CC(=C(C=C1)F)OC2=CC=CC=C2)NC3C4=C(CCCC4)C(=O)N3C5CCCCC5
COC(=O)CC(c1ccc(c(c1)Oc1ccccc1)F)NC1N(C2CCCCC2)C(=O)C2=C1CCCC2
InChI=1SC30H35FN2O4c13628(34)1926(20161725(31)27(1820)3722126371322)32292314891524(23)30(35)33(29)21104251121h3671213161821262932H245811141519H21H3
methyl3((2cyclohexyl3oxo234567hexahydro1Hisoindol1yl)amino)3(4fluoro3phenoxyphenyl)propanoate
methyl3((2cyclohexyl3oxo4567tetrahydro1Hisoindol1yl)amino)3(4fluoro3phenoxyphenyl)propanoate
MFCD11851002
STK043769
ZINC000020123758
ZINC000020123764
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