Vitas-M small molecule compound

N-({[(2Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl]oxy}acetyl)-D-phenylalanine

Catalog ID
STL008121
SMILES COc1cc(/C=C/2\Oc3c(C2=O)ccc(c3)OCC(=O)N[C@@H](C(=O)O)Cc2ccccc2)cc(c1OC)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 C29H27NO9 MW 533.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27NO9/c1-35-24-13-18(14-25(36-2)28(24)37-3)12-23-27(32)20-10-9-19(15-22(20)39-23)38-16-26(31)30-21(29(33)34)11-17-7-5-4-6-8-17/h4-10,12-15,21H,11,16H2,1-3H3,(H,30,31)(H,33,34)/b23-12-/t21-/m1/s1
InChIKey
KJDXRTHTLSYZDU-IVZMSFFOSA-N
Synonyms
956818-69-2
(2R)2((2(((2Z)3oxo2((345trimethoxyphenyl)methylidene)1benzofuran6yl)oxy)acetyl)amino)3phenylpropanoicacid
(RZ)2(2((3oxo2(345trimethoxybenzylidene)23dihydrobenzofuran6yl)oxy)acetamido)3phenylpropanoicacid
956818692
COC1=CC(=CC(=C1OC)OC)C=C2C(=O)C3=C(O2)C=C(C=C3)OCC(=O)NC(CC4=CC=CC=C4)C(=O)O
COc1cc(C=C2Oc3c(C2=O)ccc(c3)OCC(=O)N(C@@H)(C(=O)O)Cc2ccccc2)cc(c1OC)OC
InChI=1SC29H27NO9c135241318(1425(362)28(24)373)122327(32)2010919(1522(20)3923)381626(31)3021(29(33)34)11177546817h410121521H1116H213H3(H3031)(H3334)b2312t21m1s1
MFCD06765916
N((((2Z)3OXO2(345TRIMETHOXYBENZYLIDENE)23DIHYDRO1BENZOFURAN6YL)OXY)ACETYL)DPHENYLALANINE
ZINC000070699807
ZINC70699807

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Available files

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