Vitas-M small molecule compound

N-({[(2Z)-2-(3-methoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetyl)-L-valine

Catalog ID
STL530606
SMILES COc1cccc(c1)/C=C/1\Oc2c(C1=O)ccc(c2)OCC(=O)N[C@H](C(=O)O)C(C)C

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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 C23H23NO7 MW 425.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23NO7/c1-13(2)21(23(27)28)24-20(25)12-30-16-7-8-17-18(11-16)31-19(22(17)26)10-14-5-4-6-15(9-14)29-3/h4-11,13,21H,12H2,1-3H3,(H,24,25)(H,27,28)/b19-10-/t21-/m0/s1
InChIKey
FZBUJGGPFCURQG-LYFUXTGPSA-N
Synonyms
1173669-13-0
(2~(S))2((2(((2~(Z))2((3methoxyphenyl)methylidene)3oxo1benzofuran6yl)oxy)acetyl)amino)3methylbutanoicacid
(RZ)2(2((2(3methoxybenzylidene)3oxo23dihydrobenzofuran6yl)oxy)acetamido)3methylbutanoicacid
1173669130
16404183
COc1cccc(c1)C=C1Oc2c(C1=O)ccc(c2)OCC(=O)N(C@@H)(C(=O)O)C(C)C
InChI=1SC23H23NO7c113(2)21(23(27)28)2420(25)123016781718(1116)3119(22(17)26)101454615(914)293h4111321H12H213H3(H2425)(H2728)b1910t21m0s1
N((((2Z)2(3methoxybenzylidene)3oxo23dihydro1benzofuran6yl)oxy)acetyl)Lvaline
ZINC000008790378
ZINC8790378

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.