Vitas-M small molecule compound
N-(3-{4-methyl-7-[(2-methylprop-2-en-1-yl)oxy]-2-oxo-2H-chromen-3-yl}propanoyl)-L-valine
Catalog ID
STL534395
SMILES CC(=C)COc1ccc2c(c1)oc(=O)c(c2C)CCC(=O)N[C@H](C(=O)O)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 C22H27NO6 MW 401.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO6/c1-12(2)11-28-15-6-7-16-14(5)17(22(27)29-18(16)10-15)8-9-19(24)23-20(13(3)4)21(25)26/h6-7,10,13,20H,1,8-9,11H2,2-5H3,(H,23,24)(H,25,26)/t20-/m0/s1InChIKey
PPZRZLPTQHPHAD-FQEVSTJZSA-NSynonyms
956609-01-1(2~(S))3methyl2(3(4methyl7(2methylprop2enoxy)2oxochromen3yl)propanoylamino)butanoicacid
(2S)3METHYL2(3(4METHYL7(2METHYLPROP2ENOXY)2OXOCHROMEN3YL)PROPANOYLAMINO)BUTANOICACID
(S)3methyl2(3(4methyl7((2methylallyl)oxy)2oxo2Hchromen3yl)propanamido)butanoicacid
8016820
956609011
CC(=C)COc1ccc2c(c1)oc(=O)c(c2C)CCC(=O)N(C@H)(C(=O)O)C(C)C
InChI=1SC22H27NO6c112(2)112815671614(5)17(22(27)2918(16)1015)8919(24)2320(13(3)4)21(25)26h67101320H18911H225H3(H2324)(H2526)t20m0s1
N(3(4methyl7((2methylprop2en1yl)oxy)2oxo2Hchromen3yl)propanoyl)Lvaline
ZINC000006624656
ZINC6624656
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