Vitas-M small molecule compound
N-{[(4-ethyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}-L-isoleucine
Catalog ID
STK921376
SMILES CC[C@H]([C@@H](C(=O)O)NC(=O)COc1ccc2c(c1C)oc(=O)cc2CC)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/c1-5-11(3)18(20(24)25)21-16(22)10-26-15-8-7-14-13(6-2)9-17(23)27-19(14)12(15)4/h7-9,11,18H,5-6,10H2,1-4H3,(H,21,22)(H,24,25)/t11-,18+/m1/s1InChIKey
QRDQSTNEKCZZRI-ZMZPIMSZSA-NSynonyms
(2S3R)2((2(4ethyl8methyl2oxochromen7yl)oxyacetyl)amino)3methylpentanoicacid
(2S3S)2(2((4ethyl8methyl2oxo2Hchromen7yl)oxy)acetamido)3methylpentanoicacid
CC(C@@H)((C@@H)(C(=O)O)NC(=O)COc1ccc2c(c1C)oc(=O)cc2CC)C
CC(C@H)((C@@H)(C(=O)O)NC(=O)COc1ccc2c(c1C)oc(=O)cc2CC)C
CCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)NC(C(C)CC)C(=O)O
InChI=1SC20H25NO6c1511(3)18(20(24)25)2116(22)102615871413(62)917(23)2719(14)12(15)4h791118H5610H214H3(H2122)(H2425)t1118+m1s1
MFCD10040633
N(((4ethyl8methyl2oxo2Hchromen7yl)oxy)acetyl)Lisoleucine
ZINC000011866781
ZINC11866781
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