Vitas-M small molecule compound
N-{[(8-methyl-2-oxo-4-propyl-2H-chromen-7-yl)oxy]acetyl}-L-isoleucine
Catalog ID
STL460644
SMILES CCCc1cc(=O)oc2c1ccc(c2C)OCC(=O)N[C@@H]([C@@H](CC)C)C(=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 C21H27NO6 MW 389.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27NO6/c1-5-7-14-10-18(24)28-20-13(4)16(9-8-15(14)20)27-11-17(23)22-19(21(25)26)12(3)6-2/h8-10,12,19H,5-7,11H2,1-4H3,(H,22,23)(H,25,26)/t12-,19+/m1/s1InChIKey
AJEXICSUMPKHSO-BLVKFPJESA-NSynonyms
(2S3R)3methyl2((2(8methyl2oxo4propylchromen7yl)oxyacetyl)amino)pentanoicacid
(2S3S)3methyl2(2((8methyl2oxo4propyl2Hchromen7yl)oxy)acetamido)pentanoicacid
CCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)NC(C(C)CC)C(=O)O
CCCc1cc(=O)oc2c1ccc(c2C)OCC(=O)N(C@@H)((C@@H)(CC)C)C(=O)O
CCCc1cc(=O)oc2c1ccc(c2C)OCC(=O)N(C@@H)((C@H)(CC)C)C(=O)O
InChI=1SC21H27NO6c157141018(24)282013(4)16(9815(14)20)271117(23)2219(21(25)26)12(3)62h8101219H5711H214H3(H2223)(H2526)t1219+m1s1
MFCD10040639
N(((8methyl2oxo4propyl2Hchromen7yl)oxy)acetyl)Lisoleucine
ZINC000006593785
ZINC6593785
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