Vitas-M small molecule compound

1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl N-[(benzyloxy)carbonyl]-beta-alaninate

Catalog ID
STL515228
SMILES O=C(OCc1ccccc1)NCCC(=O)Oc1cc(O)c2c(c1)oc1c(c2=O)cccc1C

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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 C25H21NO7 MW 447.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21NO7/c1-15-6-5-9-18-23(29)22-19(27)12-17(13-20(22)33-24(15)18)32-21(28)10-11-26-25(30)31-14-16-7-3-2-4-8-16/h2-9,12-13,27H,10-11,14H2,1H3,(H,26,30)
InChIKey
HJDXBCXCJQUHAQ-UHFFFAOYSA-N
Synonyms
859670-56-7
(1HYDROXY5METHYL9OXOXANTHEN3YL)3(PHENYLMETHOXYCARBONYLAMINO)PROPANOATE
1HYDROXY5METHYL9OXO9HXANTHEN3YL3(((BENZYLOXY)CARBONYL)AMINO)PROPANOATE
1hydroxy5methyl9oxo9Hxanthen3ylN((benzyloxy)carbonyl)betaalaninate
6217282
859670567
InChI=1SC25H21NO7c1156591823(29)2219(27)1217(1320(22)3324(15)18)3221(28)10112625(30)3114167324816h29121327H101114H21H3(H2630)
MFCD06765969
ZINC000012882617
ZINC12882617

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Available files

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