Vitas-M small molecule compound
N-{2-[(8-methyl-2-oxo-4-propyl-2H-chromen-7-yl)oxy]propanoyl}-L-isoleucine
Catalog ID
STL460660
SMILES CCCc1cc(=O)oc2c1ccc(c2C)OC(C(=O)N[C@@H]([C@@H](CC)C)C(=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 C22H29NO6 MW 403.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29NO6/c1-6-8-15-11-18(24)29-20-13(4)17(10-9-16(15)20)28-14(5)21(25)23-19(22(26)27)12(3)7-2/h9-12,14,19H,6-8H2,1-5H3,(H,23,25)(H,26,27)/t12-,14?,19+/m1/s1InChIKey
FYRDRWHCLLNEML-JMEGYQLOSA-NSynonyms
(2S3R)3methyl2(2(8methyl2oxo4propylchromen7yl)oxypropanoylamino)pentanoicacid
(2S3S)3methyl2(2((8methyl2oxo4propyl2Hchromen7yl)oxy)propanamido)pentanoicacid
CCCC1=CC(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)NC(C(C)CC)C(=O)O
CCCc1cc(=O)oc2c1ccc(c2C)OC(C(=O)N(C@@H)((C@@H)(CC)C)C(=O)O)C
CCCc1cc(=O)oc2c1ccc(c2C)OC(C(=O)N(C@@H)((C@H)(CC)C)C(=O)O)C
InChI=1SC22H29NO6c168151118(24)292013(4)17(10916(15)20)2814(5)21(25)2319(22(26)27)12(3)72h9121419H68H215H3(H2325)(H2627)t1214?19+m1s1
MFCD10040643
N(2((8methyl2oxo4propyl2Hchromen7yl)oxy)propanoyl)Lisoleucine
ZINC000011866789
ZINC000011866790
Check stock
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Check stock on Vitas-MAvailable files
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