Vitas-M small molecule compound
N-[(3-hexyl-7-hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl]-L-isoleucine
Catalog ID
STL460996
SMILES CCCCCCc1c(=O)oc2c(c1C)ccc(c2CN[C@@H]([C@@H](CC)C)C(=O)O)O
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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 C23H33NO5 MW 403.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H33NO5/c1-5-7-8-9-10-17-15(4)16-11-12-19(25)18(21(16)29-23(17)28)13-24-20(22(26)27)14(3)6-2/h11-12,14,20,24-25H,5-10,13H2,1-4H3,(H,26,27)/t14-,20+/m1/s1InChIKey
YYECOTLRINGOBL-VLIAUNLRSA-NSynonyms
(2R3R)2(((3hexyl7hydroxy4methyl2oxo2Hchromen8yl)methyl)amino)3methylpentanoicacid
(2S3R)2((3HEXYL7HYDROXY4METHYL2OXOCHROMEN8YL)METHYLAMINO)3METHYLPENTANOICACID
CCCCCCC1=C(C2=C(C(=C(C=C2)O)CNC(C(C)CC)C(=O)O)OC1=O)C
CCCCCCc1c(=O)oc2c(c1C)ccc(c2CN(C@@H)((C@@H)(CC)C)C(=O)O)O
CCCCCCc1c(=O)oc2c(c1C)ccc(c2CN(C@H)(C(CC)C)C(=O)O)O
InChI=1SC23H33NO5c15789101715(4)16111219(25)18(21(16)2923(17)28)132420(22(26)27)14(3)62h111214202425H51013H214H3(H2627)t1420+m1s1
MFCD10040697
N((3hexyl7hydroxy4methyl2oxo2Hchromen8yl)methyl)Lisoleucine
ZINC000011866847
ZINC11866847
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