Vitas-M small molecule compound
methyl 4-{(3E)-1-benzyl-3-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-4,5-dioxopyrrolidin-2-yl}benzoate
Catalog ID
STL044931
SMILES COC(=O)c1ccc(cc1)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 C29H25NO6 MW 483.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25NO6/c1-17-14-22-15-21(12-13-23(22)36-17)26(31)24-25(19-8-10-20(11-9-19)29(34)35-2)30(28(33)27(24)32)16-18-6-4-3-5-7-18/h3-13,15,17,25,31H,14,16H2,1-2H3/b26-24+InChIKey
WDNDFPSFPQYLJW-SHHOIMCASA-NSynonyms
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CC4=CC=CC=C4)C5=CC=C(C=C5)C(=O)OC)O
COC(=O)c1ccc(cc1)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1Cc1ccccc1
InChI=1SC29H25NO6c11714221521(121323(22)3617)26(31)2425(1981020(11919)29(34)352)30(28(33)27(24)32)16186435718h31315172531H1416H212H3b2624+
methyl4((3E)1benzyl3(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)45dioxopyrrolidin2yl)benzoate
MFCD04074324
ZINC000102877112
ZINC000102877118
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