Vitas-M small molecule compound
(4E)-1-benzyl-5-(3,4-dimethoxyphenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STL038924
SMILES COc1ccc(cc1OC)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1Cc1ccccc1
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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 C29H27NO6 MW 485.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27NO6/c1-17-13-21-14-20(10-11-22(21)36-17)27(31)25-26(19-9-12-23(34-2)24(15-19)35-3)30(29(33)28(25)32)16-18-7-5-4-6-8-18/h4-12,14-15,17,26,31H,13,16H2,1-3H3/b27-25+InChIKey
ZNLCJCZCLXFBBP-IMVLJIQESA-NSynonyms
(4E)1benzyl5(34dimethoxyphenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CC4=CC=CC=C4)C5=CC(=C(C=C5)OC)OC)O
COc1ccc(cc1OC)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1Cc1ccccc1
InChI=1SC29H27NO6c11713211420(101122(21)3617)27(31)2526(1991223(342)24(1519)353)30(29(33)28(25)32)16187546818h4121415172631H1316H213H3b2725+
MFCD04076618
ZINC000102862149
ZINC000102862159
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