Vitas-M small molecule compound
1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl N-(tert-butoxycarbonyl)-D-valinate
Catalog ID
STK581498
SMILES O=C(OC(C)(C)C)N[C@@H](C(=O)Oc1cc(O)c2c(c1)oc1c(c2=O)cccc1C)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 C24H27NO7 MW 441.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27NO7/c1-12(2)19(25-23(29)32-24(4,5)6)22(28)30-14-10-16(26)18-17(11-14)31-21-13(3)8-7-9-15(21)20(18)27/h7-12,19,26H,1-6H3,(H,25,29)/t19-/m1/s1InChIKey
ISIWSSLNBHHGOD-LJQANCHMSA-NSynonyms
1014063-82-1(1hydroxy5methyl9oxoxanthen3yl)(2R)3methyl2((2methylpropan2yl)oxycarbonylamino)butanoate
(R)1hydroxy5methyl9oxo9Hxanthen3yl2((tertbutoxycarbonyl)amino)3methylbutanoate
1014063821
1hydroxy5methyl9oxo9Hxanthen3ylN(tertbutoxycarbonyl)Dvalinate
CC1=CC=CC2=C1OC3=CC(=CC(=C3C2=O)O)OC(=O)C(C(C)C)NC(=O)OC(C)(C)C
InChI=1SC24H27NO7c112(2)19(2523(29)3224(45)6)22(28)30141016(26)1817(1114)312113(3)87915(21)20(18)27h7121926H16H3(H2529)t19m1s1
MFCD08284507
O=C(OC(C)(C)C)N(C@@H)(C(=O)Oc1cc(O)c2c(c1)oc1c(c2=O)cccc1C)C(C)C
ZINC000009129338
ZINC09129338
ZINC9129338
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