Vitas-M small molecule compound

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

Catalog ID
STL534027
SMILES COc1cc(OC)c(cc1/C=C/1\Oc2c(C1=O)ccc(c2)OCC(=O)N[C@@H](C(=O)O)Cc1ccc(cc1)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 C29H27NO10 MW 549.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27NO10/c1-36-22-14-25(38-3)24(37-2)11-17(22)12-26-28(33)20-9-8-19(13-23(20)40-26)39-15-27(32)30-21(29(34)35)10-16-4-6-18(31)7-5-16/h4-9,11-14,21,31H,10,15H2,1-3H3,(H,30,32)(H,34,35)/b26-12-/t21-/m1/s1
InChIKey
PLFOCKXSQUANJS-NUDQUTMZSA-N
Synonyms
956975-48-7
(2~(R))3(4hydroxyphenyl)2((2(((2~(Z))3oxo2((245trimethoxyphenyl)methylidene)1benzofuran6yl)oxy)acetyl)amino)propanoicacid
(RZ)3(4HYDROXYPHENYL)2(2((3OXO2(245TRIMETHOXYBENZYLIDENE)23DIHYDROBENZOFURAN6YL)OXY)ACETAMIDO)PROPANOICACID
16404145
956975487
COc1cc(OC)c(cc1C=C1Oc2c(C1=O)ccc(c2)OCC(=O)N(C@@H)(C(=O)O)Cc1ccc(cc1)O)OC
InChI=1SC29H27NO10c136221425(383)24(372)1117(22)122628(33)209819(1323(20)4026)391527(32)3021(29(34)35)10164618(31)7516h4911142131H1015H213H3(H3032)(H3435)b2612t21m1s1
N((((2Z)3oxo2(245trimethoxybenzylidene)23dihydro1benzofuran6yl)oxy)acetyl)Dtyrosine
ZINC000070700044
ZINC70700044

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Available files

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