Vitas-M small molecule compound

N-{2-[(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}-L-alanine

Catalog ID
STL460718
SMILES CCCCc1cc(=O)oc2c1ccc(c2C)OC(C(=O)N[C@H](C(=O)O)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 C20H25NO6 MW 375.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25NO6/c1-5-6-7-14-10-17(22)27-18-11(2)16(9-8-15(14)18)26-13(4)19(23)21-12(3)20(24)25/h8-10,12-13H,5-7H2,1-4H3,(H,21,23)(H,24,25)/t12-,13?/m0/s1
InChIKey
VGTIGKWWIQGPNY-UEWDXFNNSA-N
Synonyms
957044-63-2
(2S)2(2((4butyl8methyl2oxo2Hchromen7yl)oxy)propanamido)propanoicacid
(2S)2(2(4butyl8methyl2oxochromen7yl)oxypropanoylamino)propanoicacid
957044632
CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)NC(C)C(=O)O
CCCCc1cc(=O)oc2c1ccc(c2C)OC(C(=O)N(C@H)(C(=O)O)C)C
InChI=1SC20H25NO6c1567141017(22)271811(2)16(9815(14)18)2613(4)19(23)2112(3)20(24)25h8101213H57H214H3(H2123)(H2425)t1213?m0s1
N(2((4butyl8methyl2oxo2Hchromen7yl)oxy)propanoyl)Lalanine
ZINC000002157484
ZINC000002157486

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Available files

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