Vitas-M small molecule compound
4-(5-{1-[(2Z)-6-hydroxy-2-(morpholin-4-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-7-yl]-3-methoxy-3-oxopropyl}furan-2-yl)benzoic acid
Catalog ID
STL550113
SMILES COC(=O)CC(c1c(O)ccc2c1O/C(=C\N1CCOCC1)/C2=O)c1ccc(o1)c1ccc(cc1)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 C28H25NO9 MW 519.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25NO9/c1-35-24(31)14-19(22-9-8-21(37-22)16-2-4-17(5-3-16)28(33)34)25-20(30)7-6-18-26(32)23(38-27(18)25)15-29-10-12-36-13-11-29/h2-9,15,19,30H,10-14H2,1H3,(H,33,34)/b23-15-InChIKey
SRHRXGLISSRKQB-HAHDFKILSA-NSynonyms
(Z)4(5(1(6hydroxy2(morpholinomethylene)3oxo23dihydrobenzofuran7yl)3methoxy3oxopropyl)furan2yl)benzoicacid
127252751
4(5(1((2~(Z))6hydroxy2(morpholin4ylmethylidene)3oxo1benzofuran7yl)3methoxy3oxopropyl)furan2yl)benzoicacid
4(5(1((2Z)6hydroxy2(morpholin4ylmethylidene)3oxo23dihydro1benzofuran7yl)3methoxy3oxopropyl)furan2yl)benzoicacid
COC(=O)CC(c1c(O)ccc2c1OC(=CN1CCOCC1)C2=O)c1ccc(o1)c1ccc(cc1)C(=O)O
InChI=1SC28H25NO9c13524(31)1419(229821(3722)162417(5316)28(33)34)2520(30)761826(32)23(3827(18)25)1529101236131129h29151930H1014H21H3(H3334)b2315
MFCD31757402
ZINC000604405430
ZINC001081803929
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