Vitas-M small molecule compound
methyl 4-[(3E)-1-[2-(dimethylamino)ethyl]-3-(hydroxy{4-[(3-methylbenzyl)oxy]phenyl}methylidene)-4,5-dioxopyrrolidin-2-yl]benzoate
Catalog ID
STK603727
SMILES COC(=O)c1ccc(cc1)C1N(CCN(C)C)C(=O)C(=O)/C/1=C(\c1ccc(cc1)OCc1cccc(c1)C)/O
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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 C31H32N2O6 MW 528.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32N2O6/c1-20-6-5-7-21(18-20)19-39-25-14-12-23(13-15-25)28(34)26-27(22-8-10-24(11-9-22)31(37)38-4)33(17-16-32(2)3)30(36)29(26)35/h5-15,18,27,34H,16-17,19H2,1-4H3/b28-26+InChIKey
HYAAEKHBIQXJIB-BYCLXTJYSA-NSynonyms
839699-64-8839699648
CC1=CC(=CC=C1)COC2=CC=C(C=C2)C(=C3C(N(C(=O)C3=O)CCN(C)C)C4=CC=C(C=C4)C(=O)OC)O
COC(=O)c1ccc(cc1)C1N(CCN(C)C)C(=O)C(=O)C1=C(c1ccc(cc1)OCc1cccc(c1)C)O
InChI=1SC31H32N2O6c12065721(1820)193925141223(131525)28(34)2627(2281024(11922)31(37)384)33(171632(2)3)30(36)29(26)35h515182734H161719H214H3b2826+
methyl4((3E)1(2(dimethylamino)ethyl)3(hydroxy(4((3methylbenzyl)oxy)phenyl)methylidene)45dioxopyrrolidin2yl)benzoate
methyl4((3E)1(2(dimethylamino)ethyl)3(hydroxy(4((3methylphenyl)methoxy)phenyl)methylidene)45dioxopyrrolidin2yl)benzoate
METHYL4((3E)1(2DIMETHYLAMINOETHYL)3(HYDROXY(4((3METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)45DIOXOPYRROLIDIN2YL)BENZOATE
MFCD08735124
ZINC000102696170
ZINC000102696172
Check stock
See real-time availability and sample size for STK603727 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.