Vitas-M small molecule compound

N-[(4-butyl-7-hydroxy-2-oxo-2H-chromen-8-yl)methyl]-L-isoleucine

Catalog ID
STL460995
SMILES CCCCc1cc(=O)oc2c1ccc(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 C20H27NO5 MW 361.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27NO5/c1-4-6-7-13-10-17(23)26-19-14(13)8-9-16(22)15(19)11-21-18(20(24)25)12(3)5-2/h8-10,12,18,21-22H,4-7,11H2,1-3H3,(H,24,25)/t12-,18+/m1/s1
InChIKey
DGCSYLIWTOPBBP-XIKOKIGWSA-N
Synonyms

(2S3R)2((4BUTYL7HYDROXY2OXOCHROMEN8YL)METHYLAZANIUMYL)3METHYLPENTANOATE
2(((4butyl7hydroxy2oxo2Hchromen8yl)methyl)amino)3methylpentanoicacid
CCCCC1=CC(=O)OC2=C1C=CC(=C2C(NH2+)C(C(C)CC)C(=O)(O))O
CCCCc1cc(=O)oc2c1ccc(c2CN(C@@H)((C@@H)(CC)C)C(=O)O)O
CCCCc1cc(=O)oc2c1ccc(c2CNC(C(CC)C)C(=O)O)O
InChI=1SC20H27NO5c1467131017(23)261914(13)8916(22)15(19)112118(20(24)25)12(3)52h81012182122H4711H213H3(H2425)t1218+m1s1
MFCD10040696
N((4butyl7hydroxy2oxo2Hchromen8yl)methyl)Lisoleucine
ZINC000002137304
ZINC02137304
ZINC2137304

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Available files

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