Vitas-M small molecule compound
N~2~-[3-(4-hydroxy-3-methoxyphenyl)-3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)propanoyl]-L-isoleucinamide
Catalog ID
STL549806
SMILES CC[C@@H]([C@@H](C(=O)N)NC(=O)CC(c1oc(C)cc(=O)c1O)c1ccc(c(c1)OC)O)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 C22H28N2O7 MW 432.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N2O7/c1-5-11(2)19(22(23)29)24-18(27)10-14(13-6-7-15(25)17(9-13)30-4)21-20(28)16(26)8-12(3)31-21/h6-9,11,14,19,25,28H,5,10H2,1-4H3,(H2,23,29)(H,24,27)/t11-,14?,19-/m0/s1InChIKey
XDAHCMQFGLPHPM-TYOABCSZSA-NSynonyms
(2~(S)3~(S))2((3(4hydroxy3methoxyphenyl)3(3hydroxy6methyl4oxopyran2yl)propanoyl)amino)3methylpentanamide
(2S3S)2(3(4hydroxy3methoxyphenyl)3(3hydroxy6methyl4oxo4Hpyran2yl)propanamido)3methylpentanamide
127252992
CC(C@@H)((C@@H)(C(=O)N)NC(=O)CC(c1oc(C)cc(=O)c1O)c1ccc(c(c1)OC)O)C
InChI=1SC22H28N2O7c1511(2)19(22(23)29)2418(27)1014(136715(25)17(913)304)2120(28)16(26)812(3)3121h691114192528H510H214H3(H22329)(H2427)t1114?19m0s1
N~2~(3(4hydroxy3methoxyphenyl)3(3hydroxy6methyl4oxo4Hpyran2yl)propanoyl)Lisoleucinamide
N2(3(4HYDROXY3METHOXYPHENYL)3(3HYDROXY6METHYL4OXO4HPYRAN2YL)PROPANOYL)LISOLEUCINAMIDE
ZINC000604405927
ZINC000604405929
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