Vitas-M small molecule compound

1-hydroxy-9-oxo-9H-xanthen-3-yl N-(tert-butoxycarbonyl)-D-phenylalaninate

Catalog ID
STK595990
SMILES O=C(OC(C)(C)C)N[C@@H](C(=O)Oc1cc(O)c2c(c1)oc1c(c2=O)cccc1)Cc1ccccc1

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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 C27H25NO7 MW 475.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25NO7/c1-27(2,3)35-26(32)28-19(13-16-9-5-4-6-10-16)25(31)33-17-14-20(29)23-22(15-17)34-21-12-8-7-11-18(21)24(23)30/h4-12,14-15,19,29H,13H2,1-3H3,(H,28,32)/t19-/m1/s1
InChIKey
AMHOVAYGVMIYSQ-LJQANCHMSA-N
Synonyms
1014022-13-9
(1hydroxy9oxoxanthen3yl)(2R)2((2methylpropan2yl)oxycarbonylamino)3phenylpropanoate
(R)1hydroxy9oxo9Hxanthen3yl2((tertbutoxycarbonyl)amino)3phenylpropanoate
1014022139
1hydroxy9oxo9Hxanthen3ylN(tertbutoxycarbonyl)Dphenylalaninate
CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)OC2=CC(=C3C(=C2)OC4=CC=CC=C4C3=O)O
InChI=1SC27H25NO7c127(23)3526(32)2819(131695461016)25(31)33171420(29)2322(1517)342112871118(21)24(23)30h41214151929H13H213H3(H2832)t19m1s1
MFCD08284532
O=C(OC(C)(C)C)N(C@@H)(C(=O)Oc1cc(O)c2c(c1)oc1c(c2=O)cccc1)Cc1ccccc1
ZINC000013591596
ZINC13591596

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Available files

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