Vitas-M small molecule compound
(2S)-({[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl}amino)(phenyl)ethanoic acid
Catalog ID
STK719035
SMILES COc1cc(ccc1OC)c1scc(n1)CC(=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 C21H20N2O5S MW 412.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O5S/c1-27-16-9-8-14(10-17(16)28-2)20-22-15(12-29-20)11-18(24)23-19(21(25)26)13-6-4-3-5-7-13/h3-10,12,19H,11H2,1-2H3,(H,23,24)(H,25,26)/t19-/m0/s1InChIKey
HNCIVIJKXGXEGA-IBGZPJMESA-NSynonyms
(2S)(((2(34dimethoxyphenyl)13thiazol4yl)acetyl)amino)(phenyl)ethanoicacid
(2S)2((2(2(34dimethoxyphenyl)13thiazol4yl)acetyl)amino)2phenylaceticacid
(R)2(2(2(34dimethoxyphenyl)thiazol4yl)acetamido)2phenylaceticacid
COC1=C(C=C(C=C1)C2=NC(=CS2)CC(=O)NC(C3=CC=CC=C3)C(=O)O)OC
COc1cc(ccc1OC)c1scc(n1)CC(=O)N(C@@H)(c1ccccc1)C(=O)O
COc1cc(ccc1OC)c1scc(n1)CC(=O)N(C@H)(c1ccccc1)C(=O)O
InChI=1SC21H20N2O5Sc127169814(1017(16)282)202215(122920)1118(24)2319(21(25)26)136435713h3101219H11H212H3(H2324)(H2526)t19m0s1
MFCD13371657
ZINC000030819265
ZINC30819265
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