Vitas-M small molecule compound
1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl (2S)-[(tert-butoxycarbonyl)amino](phenyl)ethanoate
Catalog ID
STK591025
SMILES O=C(OC(C)(C)C)N[C@@H](c1ccccc1)C(=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 C27H25NO7 MW 475.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25NO7/c1-15-9-8-12-18-23(30)21-19(29)13-17(14-20(21)34-24(15)18)33-25(31)22(16-10-6-5-7-11-16)28-26(32)35-27(2,3)4/h5-14,22,29H,1-4H3,(H,28,32)/t22-/m0/s1InChIKey
KNWBEXOXLTWHAQ-QFIPXVFZSA-NSynonyms
1014021-28-3(1hydroxy5methyl9oxoxanthen3yl)(2S)2((2methylpropan2yl)oxycarbonylamino)2phenylacetate
(S)1hydroxy5methyl9oxo9Hxanthen3yl2((tertbutoxycarbonyl)amino)2phenylacetate
1014021283
1hydroxy5methyl9oxo9Hxanthen3yl(2S)((tertbutoxycarbonyl)amino)(phenyl)ethanoate
CC1=CC=CC2=C1OC3=CC(=CC(=C3C2=O)O)OC(=O)C(C4=CC=CC=C4)NC(=O)OC(C)(C)C
InChI=1SC27H25NO7c11598121823(30)2119(29)1317(1420(21)3424(15)18)3325(31)22(16106571116)2826(32)3527(23)4h5142229H14H3(H2832)t22m0s1
MFCD08284493
O=C(OC(C)(C)C)N(C@@H)(c1ccccc1)C(=O)Oc1cc(O)c2c(c1)oc1c(c2=O)cccc1C
ZINC000009129151
ZINC09129151
ZINC9129151
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