Vitas-M small molecule compound
methyl 3-{[2-(1,3-benzodioxol-5-ylmethyl)-3-oxo-2,3,4,5,6,7-hexahydro-1H-isoindol-1-yl]amino}-3-(4-fluoro-3-phenoxyphenyl)propanoate
Catalog ID
STK036699
SMILES COC(=O)CC(c1ccc(c(c1)Oc1ccccc1)F)NC1N(Cc2ccc3c(c2)OCO3)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 C32H31FN2O6 MW 558.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31FN2O6/c1-38-30(36)17-26(21-12-13-25(33)28(16-21)41-22-7-3-2-4-8-22)34-31-23-9-5-6-10-24(23)32(37)35(31)18-20-11-14-27-29(15-20)40-19-39-27/h2-4,7-8,11-16,26,31,34H,5-6,9-10,17-19H2,1H3InChIKey
XBBCALUQNGLGAX-UHFFFAOYSA-NSynonyms
COC(=O)CC(C1=CC(=C(C=C1)F)OC2=CC=CC=C2)NC3C4=C(CCCC4)C(=O)N3CC5=CC6=C(C=C5)OCO6
COC(=O)CC(c1ccc(c(c1)Oc1ccccc1)F)NC1N(Cc2ccc3c(c2)OCO3)C(=O)C2=C1CCCC2
InChI=1SC32H31FN2O6c13830(36)1726(21121325(33)28(1621)41227324822)3431239561024(23)32(37)35(31)182011142729(1520)40193927h24781116263134H569101719H21H3
methyl3((2(13benzodioxol5ylmethyl)3oxo234567hexahydro1Hisoindol1yl)amino)3(4fluoro3phenoxyphenyl)propanoate
methyl3((2(13benzodioxol5ylmethyl)3oxo4567tetrahydro1Hisoindol1yl)amino)3(4fluoro3phenoxyphenyl)propanoate
MFCD11850995
STK036699
ZINC000059211775
ZINC000059211778
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