Vitas-M small molecule compound
(4E)-5-(4-butoxy-3-ethoxyphenyl)-1-(furan-2-ylmethyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STL042280
SMILES CCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1Cc1ccco1
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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 C31H33NO7 MW 531.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33NO7/c1-4-6-13-38-25-12-9-20(17-26(25)36-5-2)28-27(30(34)31(35)32(28)18-23-8-7-14-37-23)29(33)21-10-11-24-22(16-21)15-19(3)39-24/h7-12,14,16-17,19,28,33H,4-6,13,15,18H2,1-3H3/b29-27+InChIKey
VNCIUXHUBGITPF-ORIPQNMZSA-NSynonyms
849828-24-6(4E)5(4butoxy3ethoxyphenyl)1(furan2ylmethyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
849828246
CCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2CC5=CC=CO5)OCC
CCCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1Cc1ccco1
InChI=1SC31H33NO7c14613382512920(1726(25)3652)2827(30(34)31(35)32(28)182387143723)29(33)2110112422(1621)1519(3)3924h712141617192833H46131518H213H3b2927+
MFCD05737725
ZINC000102870076
ZINC000102870082
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