Vitas-M small molecule compound
(4E)-5-(4-tert-butylphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(2-phenylethyl)pyrrolidine-2,3-dione
Catalog ID
STL055763
SMILES O=C1C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C(N1CCc1ccccc1)c1ccc(cc1)C(C)(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 C31H31NO5 MW 497.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31NO5/c1-31(2,3)23-12-9-21(10-13-23)27-26(28(33)22-11-14-24-25(19-22)37-18-17-36-24)29(34)30(35)32(27)16-15-20-7-5-4-6-8-20/h4-14,19,27,33H,15-18H2,1-3H3/b28-26+InChIKey
KAGTXJJKASNLPY-BYCLXTJYSA-NSynonyms
585551-52-6(4E)5(4tertbutylphenyl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(2phenylethyl)pyrrolidine23dione
(4E)5(4TERTBUTYLPHENYL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1PHENETHYLPYRROLIDINE23DIONE
585551526
CC(C)(C)C1=CC=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CCC5=CC=CC=C5
InChI=1SC31H31NO5c131(23)2312921(101323)2726(28(33)2211142425(1922)3718173624)29(34)30(35)32(27)1615207546820h414192733H1518H213H3b2826+
MFCD05726272
O=C1C(=O)C(=C(c2ccc3c(c2)OCCO3)O)C(N1CCc1ccccc1)c1ccc(cc1)C(C)(C)C
ZINC000102894861
ZINC000102894864
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