Vitas-M small molecule compound
(2Z)-7-(azepanium-1-ylmethyl)-2-(1-benzofuran-2-ylmethylidene)-4-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK628898
SMILES Cc1cc([O-])c(c2c1C(=O)/C(=C/c1cc3c(o1)cccc3)/O2)C[NH+]1CCCCCC1
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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 C25H25NO4 MW 403.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25NO4/c1-16-12-20(27)19(15-26-10-6-2-3-7-11-26)25-23(16)24(28)22(30-25)14-18-13-17-8-4-5-9-21(17)29-18/h4-5,8-9,12-14,27H,2-3,6-7,10-11,15H2,1H3/b22-14-InChIKey
WUGGTWAKCTYPQA-HMAPJEAMSA-NSynonyms
929842-46-6(2Z)7(azepan1ylmethyl)2(1benzofuran2ylmethylidene)6hydroxy4methyl1benzofuran3one
(2Z)7(azepanium1ylmethyl)2(1benzofuran2ylmethylidene)4methyl3oxo23dihydro1benzofuran6olate
7(AZAPERHYDROEPINYLMETHYL)2(BENZO(D)FURAN2YLMETHYLENE)6HYDROXY4METHYLBENZO(B)FURAN3ONE
CC1=CC(=C(C2=C1C(=O)C(=CC3=CC4=CC=CC=C4O3)O2)CN5CCCCCC5)O
Cc1cc((O))c(c2c1C(=O)C(=Cc1cc3c(o1)cccc3)O2)C(NH+)1CCCCCC1
InChI=1SC25H25NO4c1161220(27)19(15261062371126)2523(16)24(28)22(3025)14181317845921(17)2918h4589121427H2367101115H21H3b2214
MFCD09790696
ZINC000020649719
ZINC20649719
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