Vitas-M small molecule compound
1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl N-[(benzyloxy)carbonyl]-D-alaninate
Catalog ID
STK574844
SMILES O=C(N[C@@H](C(=O)Oc1cc(O)c2c(c1)oc1c(c2=O)cccc1C)C)OCc1ccccc1
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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/c1-14-7-6-10-18-22(28)21-19(27)11-17(12-20(21)33-23(14)18)32-24(29)15(2)26-25(30)31-13-16-8-4-3-5-9-16/h3-12,15,27H,13H2,1-2H3,(H,26,30)/t15-/m1/s1InChIKey
ITWWSBBEMFOBHF-OAHLLOKOSA-NSynonyms
1014041-84-9(1hydroxy5methyl9oxoxanthen3yl)(2R)2(phenylmethoxycarbonylamino)propanoate
(R)1hydroxy5methyl9oxo9Hxanthen3yl2(((benzyloxy)carbonyl)amino)propanoate
1014041849
1hydroxy5methyl9oxo9Hxanthen3ylN((benzyloxy)carbonyl)Dalaninate
CC1=CC=CC2=C1OC3=CC(=CC(=C3C2=O)O)OC(=O)C(C)NC(=O)OCC4=CC=CC=C4
InChI=1SC25H21NO7c11476101822(28)2119(27)1117(1220(21)3323(14)18)3224(29)15(2)2625(30)3113168435916h3121527H13H212H3(H2630)t15m1s1
MFCD08284448
O=C(N(C@@H)(C(=O)Oc1cc(O)c2c(c1)oc1c(c2=O)cccc1C)C)OCc1ccccc1
ZINC000013577095
ZINC13577095
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