Vitas-M small molecule compound
ethyl (4Z)-4-(3-ethoxy-4-propoxybenzylidene)-1-(4-methoxyphenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STL363735
SMILES CCCOc1ccc(cc1OCC)/C=C\1/C(=C(N(C1=O)c1ccc(cc1)OC)C)C(=O)OCC
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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 C27H31NO6 MW 465.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31NO6/c1-6-15-34-23-14-9-19(17-24(23)32-7-2)16-22-25(27(30)33-8-3)18(4)28(26(22)29)20-10-12-21(31-5)13-11-20/h9-14,16-17H,6-8,15H2,1-5H3/b22-16-InChIKey
LLERRKQIIABBGH-JWGURIENSA-NSynonyms
(Z)ethyl4(3ethoxy4propoxybenzylidene)1(4methoxyphenyl)2methyl5oxo45dihydro1Hpyrrole3carboxylate
CCCOC1=C(C=C(C=C1)C=C2C(=C(N(C2=O)C3=CC=C(C=C3)OC)C)C(=O)OCC)OCC
CCCOc1ccc(cc1OCC)C=C1C(=C(N(C1=O)c1ccc(cc1)OC)C)C(=O)OCC
ETHYL(4Z)4((3ETHOXY4PROPOXYPHENYL)METHYLIDENE)1(4METHOXYPHENYL)2METHYL5OXOPYRROLE3CARBOXYLATE
ethyl(4Z)4(3ethoxy4propoxybenzylidene)1(4methoxyphenyl)2methyl5oxo45dihydro1Hpyrrole3carboxylate
InChI=1SC27H31NO6c1615342314919(1724(23)3272)162225(27(30)3383)18(4)28(26(22)29)20101221(315)131120h9141617H6815H215H3b2216
MFCD01455770
ZINC000002303974
ZINC02303974
ZINC2303974
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