Vitas-M small molecule compound
(2S)-{[3-(7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)propanoyl]amino}(phenyl)ethanoic acid
Catalog ID
STL464357
SMILES COc1ccc2c(c1)oc(=O)c(c2C)CCC(=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 C22H21NO6 MW 395.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO6/c1-13-16-9-8-15(28-2)12-18(16)29-22(27)17(13)10-11-19(24)23-20(21(25)26)14-6-4-3-5-7-14/h3-9,12,20H,10-11H2,1-2H3,(H,23,24)(H,25,26)/t20-/m0/s1InChIKey
UUZCDECNMLERSA-FQEVSTJZSA-NSynonyms
(2S)((3(7methoxy4methyl2oxo2Hchromen3yl)propanoyl)amino)(phenyl)ethanoicacid
(2S)2(3(7METHOXY4METHYL2OXOCHROMEN3YL)PROPANOYLAMINO)2PHENYLACETICACID
2(3(7methoxy4methyl2oxo2Hchromen3yl)propanamido)2phenylaceticacid
CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)NC(C3=CC=CC=C3)C(=O)O
COc1ccc2c(c1)oc(=O)c(c2C)CCC(=O)N(C@@H)(c1ccccc1)C(=O)O
COc1ccc2c(c1)oc(=O)c(c2C)CCC(=O)NC(c1ccccc1)C(=O)O
InChI=1SC22H21NO6c113169815(282)1218(16)2922(27)17(13)101119(24)2320(21(25)26)146435714h391220H1011H212H3(H2324)(H2526)t20m0s1
ZINC000002108296
ZINC2108296
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