Vitas-M small molecule compound
(2S)-({[(3-hexyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)(phenyl)ethanoic acid
Catalog ID
STL460806
SMILES CCCCCCc1c(=O)oc2c(c1C)ccc(c2)OCC(=O)N[C@@H](c1ccccc1)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 C26H29NO6 MW 451.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29NO6/c1-3-4-5-9-12-21-17(2)20-14-13-19(15-22(20)33-26(21)31)32-16-23(28)27-24(25(29)30)18-10-7-6-8-11-18/h6-8,10-11,13-15,24H,3-5,9,12,16H2,1-2H3,(H,27,28)(H,29,30)/t24-/m0/s1InChIKey
SOMODUIHNYEFNG-DEOSSOPVSA-NSynonyms
956048-92-3(2S)((((3hexyl4methyl2oxo2Hchromen7yl)oxy)acetyl)amino)(phenyl)ethanoicacid
(2S)2((2(3HEXYL4METHYL2OXOCHROMEN7YL)OXYACETYL)AMINO)2PHENYLACETICACID
(S)2(2((3hexyl4methyl2oxo2Hchromen7yl)oxy)acetamido)2phenylaceticacid
956048923
CCCCCCC1=C(C2=C(C=C(C=C2)OCC(=O)NC(C3=CC=CC=C3)C(=O)O)OC1=O)C
CCCCCCc1c(=O)oc2c(c1C)ccc(c2)OCC(=O)N(C@@H)(c1ccccc1)C(=O)O
InChI=1SC26H29NO6c13459122117(2)20141319(1522(20)3326(21)31)321623(28)2724(25(29)30)18107681118h681011131524H3591216H212H3(H2728)(H2930)t24m0s1
ZINC000002151747
ZINC2151747
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