Vitas-M small molecule compound

N-[3-(3-tert-butyl-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-L-isoleucine

Catalog ID
STL530179
SMILES CC[C@H]([C@@H](C(=O)O)NC(=O)CCc1c(=O)oc2c(c1C)cc1c(c2C)occ1C(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 C26H33NO6 MW 455.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33NO6/c1-8-13(2)21(24(29)30)27-20(28)10-9-16-14(3)17-11-18-19(26(5,6)7)12-32-22(18)15(4)23(17)33-25(16)31/h11-13,21H,8-10H2,1-7H3,(H,27,28)(H,29,30)/t13-,21+/m1/s1
InChIKey
OBMDHTVYZHDLBL-ASSNKEHSSA-N
Synonyms
956046-13-2
(2~(S)3~(R))2(3(3~(tert)butyl59dimethyl7oxofuro(32g)chromen6yl)propanoylamino)3methylpentanoicacid
(2S3R)2(3(3(TERTBUTYL)59DIMETHYL7OXO7HFURO(32G)CHROMEN6YL)PROPANAMIDO)3METHYLPENTANOICACID
(2S3R)2(3(3TERTBUTYL59DIMETHYL7OXOFURO(32G)CHROMEN6YL)PROPANOYLAMINO)3METHYLPENTANOICACID
1780670
956046132
CC(C@H)((C@@H)(C(=O)O)NC(=O)CCc1c(=O)oc2c(c1C)cc1c(c2C)occ1C(C)(C)C)C
InChI=1SC26H33NO6c1813(2)21(24(29)30)2720(28)1091614(3)17111819(26(56)7)123222(18)15(4)23(17)3325(16)31h111321H810H217H3(H2728)(H2930)t1321+m1s1
N(3(3tertbutyl59dimethyl7oxo7Hfuro(32g)chromen6yl)propanoyl)Lisoleucine
ZINC000002125982
ZINC2125982

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.