Vitas-M small molecule compound
1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl N-[(benzyloxy)carbonyl]-D-valinate
Catalog ID
STK587835
SMILES O=C(N[C@@H](C(=O)Oc1cc(O)c2c(c1)oc1c(c2=O)cccc1C)C(C)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 C27H25NO7 MW 475.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25NO7/c1-15(2)23(28-27(32)33-14-17-9-5-4-6-10-17)26(31)34-18-12-20(29)22-21(13-18)35-25-16(3)8-7-11-19(25)24(22)30/h4-13,15,23,29H,14H2,1-3H3,(H,28,32)/t23-/m1/s1InChIKey
JGRYINBPWKPJMN-HSZRJFAPSA-NSynonyms
1014066-00-2(1hydroxy5methyl9oxoxanthen3yl)(2R)3methyl2(phenylmethoxycarbonylamino)butanoate
(R)1hydroxy5methyl9oxo9Hxanthen3yl2(((benzyloxy)carbonyl)amino)3methylbutanoate
1014066002
1hydroxy5methyl9oxo9Hxanthen3ylN((benzyloxy)carbonyl)Dvalinate
CC1=CC=CC2=C1OC3=CC(=CC(=C3C2=O)O)OC(=O)C(C(C)C)NC(=O)OCC4=CC=CC=C4
InChI=1SC27H25NO7c115(2)23(2827(32)33141795461017)26(31)34181220(29)2221(1318)352516(3)871119(25)24(22)30h413152329H14H213H3(H2832)t23m1s1
MFCD08284514
O=C(N(C@@H)(C(=O)Oc1cc(O)c2c(c1)oc1c(c2=O)cccc1C)C(C)C)OCc1ccccc1
ZINC000009129433
ZINC09129433
ZINC9129433
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