Vitas-M small molecule compound

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

Catalog ID
STL460724
SMILES CCCCc1cc(=O)oc2c1ccc(c2C)OC(C(=O)N[C@H](C(=O)O)CCSC)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 C22H29NO6S MW 435.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29NO6S/c1-5-6-7-15-12-19(24)29-20-13(2)18(9-8-16(15)20)28-14(3)21(25)23-17(22(26)27)10-11-30-4/h8-9,12,14,17H,5-7,10-11H2,1-4H3,(H,23,25)(H,26,27)/t14?,17-/m0/s1
InChIKey
IGEMCFUXXCCYPI-JRZJBTRGSA-N
Synonyms
957031-83-3
(2S)2(2((4butyl8methyl2oxo2Hchromen7yl)oxy)propanamido)4(methylthio)butanoicacid
(2S)2(2(4butyl8methyl2oxochromen7yl)oxypropanoylamino)4methylsulfanylbutanoicacid
957031833
CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)NC(CCSC)C(=O)O
CCCCc1cc(=O)oc2c1ccc(c2C)OC(C(=O)N(C@H)(C(=O)O)CCSC)C
InChI=1SC22H29NO6Sc1567151219(24)292013(2)18(9816(15)20)2814(3)21(25)2317(22(26)27)1011304h89121417H571011H214H3(H2325)(H2627)t14?17m0s1
N(2((4butyl8methyl2oxo2Hchromen7yl)oxy)propanoyl)Lmethionine
ZINC000002097271
ZINC000002097272

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.