Vitas-M small molecule compound
1-({[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetyl)-4-hydroxy-L-proline
Catalog ID
STL531439
SMILES OC1CN([C@@H](C1)C(=O)O)C(=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 C23H19NO9 MW 453.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19NO9/c25-13-7-16(23(28)29)24(9-13)21(26)10-30-14-2-3-15-18(8-14)33-20(22(15)27)6-12-1-4-17-19(5-12)32-11-31-17/h1-6,8,13,16,25H,7,9-11H2,(H,28,29)/b20-6-/t13?,16-/m0/s1InChIKey
ITCPJXVUXQJWLA-RLPZTKERSA-NSynonyms
(2~(S))1(2(((2~(Z))2(13benzodioxol5ylmethylidene)3oxo1benzofuran6yl)oxy)acetyl)4hydroxypyrrolidine2carboxylicacid
(2S)1(2(((Z)2(benzo(d)(13)dioxol5ylmethylene)3oxo23dihydrobenzofuran6yl)oxy)acetyl)4hydroxypyrrolidine2carboxylicacid
1((((2Z)2(13benzodioxol5ylmethylidene)3oxo23dihydro1benzofuran6yl)oxy)acetyl)4hydroxyLproline
16403715
InChI=1SC23H19NO9c2513716(23(28)29)24(913)21(26)103014231518(814)3320(22(15)27)612141719(512)32113117h168131625H7911H2(H2829)b206t13?16m0s1
OC1CN((C@@H)(C1)C(=O)O)C(=O)COc1ccc2c(c1)OC(=Cc1ccc3c(c1)OCO3)C2=O
ZINC000008790016
ZINC000008790017
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