Vitas-M small molecule compound

1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl N-(tert-butoxycarbonyl)-D-isoleucinate

Catalog ID
STK577142
SMILES CC[C@@H]([C@H](C(=O)Oc1cc(O)c2c(c1)oc1c(c2=O)cccc1C)NC(=O)OC(C)(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 C25H29NO7 MW 455.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29NO7/c1-7-13(2)20(26-24(30)33-25(4,5)6)23(29)31-15-11-17(27)19-18(12-15)32-22-14(3)9-8-10-16(22)21(19)28/h8-13,20,27H,7H2,1-6H3,(H,26,30)/t13-,20+/m0/s1
InChIKey
GFZWBSLEKLISGO-RNODOKPDSA-N
Synonyms
1014022-91-3
(1hydroxy5methyl9oxoxanthen3yl)(2R3S)3methyl2((2methylpropan2yl)oxycarbonylamino)pentanoate
(2R3S)1hydroxy5methyl9oxo9Hxanthen3yl2((tertbutoxycarbonyl)amino)3methylpentanoate
1014022913
1hydroxy5methyl9oxo9Hxanthen3ylN(tertbutoxycarbonyl)Disoleucinate
CC(C@@H)((C@H)(C(=O)Oc1cc(O)c2c(c1)oc1c(c2=O)cccc1C)NC(=O)OC(C)(C)C)C
CCC(C)C(C(=O)OC1=CC(=C2C(=C1)OC3=C(C2=O)C=CC=C3C)O)NC(=O)OC(C)(C)C
InChI=1SC25H29NO7c1713(2)20(2624(30)3325(45)6)23(29)31151117(27)1918(1215)322214(3)981016(22)21(19)28h8132027H7H216H3(H2630)t1320+m0s1
MFCD18245571
ZINC000009430458
ZINC09430458
ZINC9430458

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Available files

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