Vitas-M small molecule compound
N-{2-[(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}-L-aspartic acid
Catalog ID
STL537043
SMILES CCCCc1cc(=O)oc2c1ccc(c2C)OC(C(=O)N[C@H](C(=O)O)CC(=O)O)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 C21H25NO8 MW 419.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO8/c1-4-5-6-13-9-18(25)30-19-11(2)16(8-7-14(13)19)29-12(3)20(26)22-15(21(27)28)10-17(23)24/h7-9,12,15H,4-6,10H2,1-3H3,(H,22,26)(H,23,24)(H,27,28)/t12?,15-/m0/s1InChIKey
HFQPJSWAWCUYGF-CVRLYYSRSA-NSynonyms
956951-62-5(2~(S))2(2(4butyl8methyl2oxochromen7yl)oxypropanoylamino)butanedioicacid
(2S)2(2((4BUTYL8METHYL2OXO2HCHROMEN7YL)OXY)PROPANAMIDO)SUCCINICACID
16401910
956951625
CCCCc1cc(=O)oc2c1ccc(c2C)OC(C(=O)N(C@H)(C(=O)O)CC(=O)O)C
InChI=1SC21H25NO8c145613918(25)301911(2)16(8714(13)19)2912(3)20(26)2215(21(27)28)1017(23)24h791215H4610H213H3(H2226)(H2324)(H2728)t12?15m0s1
N(2((4butyl8methyl2oxo2Hchromen7yl)oxy)propanoyl)Lasparticacid
ZINC000002126055
ZINC000002126056
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