Vitas-M small molecule compound

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

Catalog ID
STK572211
SMILES O=C(OC(C)(C)C)N[C@@H](C(=O)Oc1cc(O)c2c(c1)oc1c(c2=O)cccc1)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 C23H25NO7 MW 427.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25NO7/c1-12(2)19(24-22(28)31-23(3,4)5)21(27)29-13-10-15(25)18-17(11-13)30-16-9-7-6-8-14(16)20(18)26/h6-12,19,25H,1-5H3,(H,24,28)/t19-/m1/s1
InChIKey
ISWLRKOEMPEGHM-LJQANCHMSA-N
Synonyms
1014003-51-0
(1hydroxy9oxoxanthen3yl)(2R)3methyl2((2methylpropan2yl)oxycarbonylamino)butanoate
(R)1hydroxy9oxo9Hxanthen3yl2((tertbutoxycarbonyl)amino)3methylbutanoate
1014003510
1hydroxy9oxo9Hxanthen3ylN(tertbutoxycarbonyl)Dvalinate
CC(C)C(C(=O)OC1=CC(=C2C(=C1)OC3=CC=CC=C3C2=O)O)NC(=O)OC(C)(C)C
InChI=1SC23H25NO7c112(2)19(2422(28)3123(34)5)21(27)29131015(25)1817(1113)3016976814(16)20(18)26h6121925H15H3(H2428)t19m1s1
MFCD08284487
O=C(OC(C)(C)C)N(C@@H)(C(=O)Oc1cc(O)c2c(c1)oc1c(c2=O)cccc1)C(C)C
ZINC000009129026
ZINC09129026
ZINC9129026

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Available files

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