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Vitas-M small molecule compound

3-[4-(methoxycarbonyl)phenoxy]-4-oxo-4H-chromen-7-yl O-benzyl-N-(tert-butoxycarbonyl)-L-tyrosinate

Catalog ID
STL464787
SMILES COC(=O)c1ccc(cc1)Oc1coc2c(c1=O)ccc(c2)OC(=O)[C@H](Cc1ccc(cc1)OCc1ccccc1)NC(=O)OC(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 C38H35NO10 MW 665.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H35NO10/c1-38(2,3)49-37(43)39-31(20-24-10-14-27(15-11-24)45-22-25-8-6-5-7-9-25)36(42)48-29-18-19-30-32(21-29)46-23-33(34(30)40)47-28-16-12-26(13-17-28)35(41)44-4/h5-19,21,23,31H,20,22H2,1-4H3,(H,39,43)/t31-/m0/s1
InChIKey
AOYJALJFCQXFBB-HKBQPEDESA-N
Synonyms
294855-30-4
(S)methyl4((7((3(4(benzyloxy)phenyl)2((tertbutoxycarbonyl)amino)propanoyl)oxy)4oxo4Hchromen3yl)oxy)benzoate
294855304
3(4(methoxycarbonyl)phenoxy)4oxo4Hchromen7ylObenzylN(tertbutoxycarbonyl)Ltyrosinate
CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)OC3=CC4=C(C=C3)C(=O)C(=CO4)OC5=CC=C(C=C5)C(=O)OC
COC(=O)c1ccc(cc1)Oc1coc2c(c1=O)ccc(c2)OC(=O)(C@H)(Cc1ccc(cc1)OCc1ccccc1)NC(=O)OC(C)(C)C
InChI=1SC38H35NO10c138(23)4937(43)3931(2024101427(151124)4522258657925)36(42)482918193032(2129)462333(34(30)40)4728161226(131728)35(41)444h519212331H2022H214H3(H3943)t31m0s1
methyl4(7((2S)2((2methylpropan2yl)oxycarbonylamino)3(4phenylmethoxyphenyl)propanoyl)oxy4oxochromen3yl)oxybenzoate
MFCD06438991
ZINC000005225109
ZINC5225109

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Available files

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