Vitas-M small molecule compound
(3S)-2-({[(2Z)-3-oxo-2-(2,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl]oxy}acetyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Catalog ID
STL534808
SMILES COc1cc(OC)c(cc1/C=C/1\Oc2c(C1=O)ccc(c2)OCC(=O)N1Cc2ccccc2C[C@H]1C(=O)O)OC
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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 C30H27NO9 MW 545.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27NO9/c1-36-23-14-26(38-3)25(37-2)11-19(23)12-27-29(33)21-9-8-20(13-24(21)40-27)39-16-28(32)31-15-18-7-5-4-6-17(18)10-22(31)30(34)35/h4-9,11-14,22H,10,15-16H2,1-3H3,(H,34,35)/b27-12-/t22-/m0/s1InChIKey
HUVUREKDBGDKOK-GPBZHFFBSA-NSynonyms
957000-11-2(3~(S))2(2(((2~(Z))3oxo2((245trimethoxyphenyl)methylidene)1benzofuran6yl)oxy)acetyl)34dihydro1~(H)isoquinoline3carboxylicacid
(3S)2((((2Z)3oxo2(245trimethoxybenzylidene)23dihydro1benzofuran6yl)oxy)acetyl)1234tetrahydroisoquinoline3carboxylicacid
(SZ)2(2((3oxo2(245trimethoxybenzylidene)23dihydrobenzofuran6yl)oxy)acetyl)1234tetrahydroisoquinoline3carboxylicacid
16404473
957000112
COc1cc(OC)c(cc1C=C1Oc2c(C1=O)ccc(c2)OCC(=O)N1Cc2ccccc2C(C@H)1C(=O)O)OC
InChI=1SC30H27NO9c136231426(383)25(372)1119(23)122729(33)219820(1324(21)4027)391628(32)311518754617(18)1022(31)30(34)35h49111422H101516H213H3(H3435)b2712t22m0s1
ZINC000038150095
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