Vitas-M small molecule compound
N-({[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetyl)-beta-alanine
Catalog ID
STL514626
SMILES O=C(COc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)/C2=O)NCCC(=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 C21H17NO8 MW 411.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17NO8/c23-19(22-6-5-20(24)25)10-27-13-2-3-14-16(9-13)30-18(21(14)26)8-12-1-4-15-17(7-12)29-11-28-15/h1-4,7-9H,5-6,10-11H2,(H,22,23)(H,24,25)/b18-8-InChIKey
SRZAOKQEAUIUCD-LSCVHKIXSA-NSynonyms
864752-08-9(Z)3(2((2(benzo(d)(13)dioxol5ylmethylene)3oxo23dihydrobenzofuran6yl)oxy)acetamido)propanoicacid
3((2(((2~(Z))2(13benzodioxol5ylmethylidene)3oxo1benzofuran6yl)oxy)acetyl)amino)propanoicacid
3((2(((2Z)2(13BENZODIOXOL5YLMETHYLIDENE)3OXO1BENZOFURAN6YL)OXY)ACETYL)AMINO)PROPANOICACID
6532944
864752089
InChI=1SC21H17NO8c2319(226520(24)25)102713231416(913)3018(21(14)26)812141517(712)29112815h1479H561011H2(H2223)(H2425)b188
MFCD06766925
N((((2Z)2(13benzodioxol5ylmethylidene)3oxo23dihydro1benzofuran6yl)oxy)acetyl)betaalanine
O=C(COc1ccc2c(c1)OC(=Cc1ccc3c(c1)OCO3)C2=O)NCCC(=O)O
ZINC000004085259
ZINC4085259
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