Vitas-M small molecule compound
N-{[(4-ethyl-7-methyl-2-oxo-2H-chromen-5-yl)oxy]acetyl}glycyl-D-isoleucine
Catalog ID
STL531830
SMILES CC[C@H]([C@H](C(=O)O)NC(=O)CNC(=O)COc1cc(C)cc2c1c(CC)cc(=O)o2)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 C22H28N2O7 MW 432.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N2O7/c1-5-13(4)21(22(28)29)24-17(25)10-23-18(26)11-30-15-7-12(3)8-16-20(15)14(6-2)9-19(27)31-16/h7-9,13,21H,5-6,10-11H2,1-4H3,(H,23,26)(H,24,25)(H,28,29)/t13-,21-/m1/s1InChIKey
XNCFSPASXCGLFC-LRTDBIEQSA-NSynonyms
(2~(R)3~(R))2((2((2(4ethyl7methyl2oxochromen5yl)oxyacetyl)amino)acetyl)amino)3methylpentanoicacid
(2S3S)2(2(2((4ethyl7methyl2oxo2Hchromen5yl)oxy)acetamido)acetamido)3methylpentanoicacid
40920503
CC(C@@H)((C@@H)(C(=O)O)NC(=O)CNC(=O)COc1cc(C)cc2c1c(CC)cc(=O)o2)C
InChI=1SC22H28N2O7c1513(4)21(22(28)29)2417(25)102318(26)113015712(3)81620(15)14(62)919(27)3116h791321H561011H214H3(H2326)(H2425)(H2829)t1321m1s1
MFCD07796315
N(((4ethyl7methyl2oxo2Hchromen5yl)oxy)acetyl)glycylDisoleucine
ZINC000009059124
ZINC9059124
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