Vitas-M small molecule compound

(3S)-2-({[(2Z)-2-(3-methoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Catalog ID
STL534820
SMILES COc1cccc(c1)/C=C/1\Oc2c(C1=O)ccc(c2)OCC(=O)N1Cc2ccccc2C[C@H]1C(=O)O

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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 C28H23NO7 MW 485.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23NO7/c1-34-20-8-4-5-17(11-20)12-25-27(31)22-10-9-21(14-24(22)36-25)35-16-26(30)29-15-19-7-3-2-6-18(19)13-23(29)28(32)33/h2-12,14,23H,13,15-16H2,1H3,(H,32,33)/b25-12-/t23-/m0/s1
InChIKey
UEBRRVYQTOVOPM-CPTLYDBWSA-N
Synonyms
956827-39-7
(3~(S))2(2(((2~(Z))2((3methoxyphenyl)methylidene)3oxo1benzofuran6yl)oxy)acetyl)34dihydro1~(H)isoquinoline3carboxylicacid
(3S)2((((2Z)2(3methoxybenzylidene)3oxo23dihydro1benzofuran6yl)oxy)acetyl)1234tetrahydroisoquinoline3carboxylicacid
(SZ)2(2((2(3methoxybenzylidene)3oxo23dihydrobenzofuran6yl)oxy)acetyl)1234tetrahydroisoquinoline3carboxylicacid
16404997
956827397
COc1cccc(c1)C=C1Oc2c(C1=O)ccc(c2)OCC(=O)N1Cc2ccccc2C(C@H)1C(=O)O
InChI=1SC28H23NO7c1342084517(1120)122527(31)2210921(1424(22)3625)351626(30)291519732618(19)1323(29)28(32)33h2121423H131516H21H3(H3233)b2512t23m0s1
ZINC000012885867

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Available files

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