Vitas-M small molecule compound

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

Catalog ID
STL460992
SMILES CCCc1cc(=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 C19H25NO5 MW 347.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H25NO5/c1-4-6-12-9-16(22)25-18-13(12)7-8-15(21)14(18)10-20-17(19(23)24)11(3)5-2/h7-9,11,17,20-21H,4-6,10H2,1-3H3,(H,23,24)/t11-,17+/m1/s1
InChIKey
QUNCZWVRGYTLBS-DIFFPNOSSA-N
Synonyms

(2S3R)2((7HYDROXY2OXO4PROPYLCHROMEN8YL)METHYLAMINO)3METHYLPENTANOICACID
(2S3R)2((7HYDROXY2OXO4PROPYLCHROMEN8YL)METHYLAZANIUMYL)3METHYLPENTANOATE
2(((7hydroxy2oxo4propyl2Hchromen8yl)methyl)amino)3methylpentanoicacid
CCCC1=CC(=O)OC2=C1C=CC(=C2CNC(C(C)CC)C(=O)O)O
CCCc1cc(=O)oc2c1ccc(c2CN(C@@H)((C@@H)(CC)C)C(=O)O)O
CCCc1cc(=O)oc2c1ccc(c2CNC(C(CC)C)C(=O)O)O
InChI=1SC19H25NO5c14612916(22)251813(12)7815(21)14(18)102017(19(23)24)11(3)52h7911172021H4610H213H3(H2324)t1117+m1s1
MFCD10040691
N((7hydroxy2oxo4propyl2Hchromen8yl)methyl)Lisoleucine
ZINC000004041705
ZINC04041705
ZINC4041705

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Available files

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