Vitas-M small molecule compound
N-({[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetyl)-L-aspartic acid
Catalog ID
STL530828
SMILES O=C(N[C@H](C(=O)O)CC(=O)O)COc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)/C2=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 C22H17NO10 MW 455.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17NO10/c24-19(23-14(22(28)29)8-20(25)26)9-30-12-2-3-13-16(7-12)33-18(21(13)27)6-11-1-4-15-17(5-11)32-10-31-15/h1-7,14H,8-10H2,(H,23,24)(H,25,26)(H,28,29)/b18-6-/t14-/m0/s1InChIKey
OELZZCWSNJTJFJ-WPZPTPNYSA-NSynonyms
957031-44-6(2~(S))2((2(((2~(Z))2(13benzodioxol5ylmethylidene)3oxo1benzofuran6yl)oxy)acetyl)amino)butanedioicacid
(SZ)2(2((2(benzo(d)(13)dioxol5ylmethylene)3oxo23dihydrobenzofuran6yl)oxy)acetamido)succinicacid
16404739
957031446
InChI=1SC22H17NO10c2419(2314(22(28)29)820(25)26)93012231316(712)3318(21(13)27)611141517(511)32103115h1714H810H2(H2324)(H2526)(H2829)b186t14m0s1
N((((2Z)2(13benzodioxol5ylmethylidene)3oxo23dihydro1benzofuran6yl)oxy)acetyl)Lasparticacid
O=C(N(C@H)(C(=O)O)CC(=O)O)COc1ccc2c(c1)OC(=Cc1ccc3c(c1)OCO3)C2=O
ZINC000008790946
ZINC8790946
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