Vitas-M small molecule compound
(2Z)-7-(azepan-1-ylmethyl)-6-hydroxy-2-(2,4,5-trimethoxybenzylidene)-1-benzofuran-3(2H)-one
Catalog ID
STL033335
SMILES COc1cc(OC)c(cc1/C=C/1\Oc2c(C1=O)ccc(c2CN1CCCCCC1)O)OC
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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 C25H29NO6 MW 439.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29NO6/c1-29-20-14-22(31-3)21(30-2)12-16(20)13-23-24(28)17-8-9-19(27)18(25(17)32-23)15-26-10-6-4-5-7-11-26/h8-9,12-14,27H,4-7,10-11,15H2,1-3H3/b23-13-InChIKey
XNVXIZZVKSEZHS-QRVIBDJDSA-NSynonyms
859661-84-0(2Z)7(AZEPAN1YLMETHYL)6HYDROXY2((245TRIMETHOXYPHENYL)METHYLIDENE)1BENZOFURAN3ONE
(2Z)7(azepan1ylmethyl)6hydroxy2(245trimethoxybenzylidene)1benzofuran3(2H)one
(Z)7(azepan1ylmethyl)6hydroxy2(245trimethoxybenzylidene)benzofuran3(2H)one
7(AZAPERHYDROEPINYLMETHYL)6HYDROXY2((245TRIMETHOXYPHENYL)METHYLENE)BENZO(B)FURAN3ONE
COC1=CC(=C(C=C1C=C2C(=O)C3=C(O2)C(=C(C=C3)O)CN4CCCCCC4)OC)OC
COc1cc(OC)c(cc1C=C1Oc2c(C1=O)ccc(c2CN1CCCCCC1)O)OC
InChI=1SC25H29NO6c129201422(313)21(302)1216(20)132324(28)178919(27)18(25(17)3223)15261064571126h89121427H47101115H213H3b2313
ZINC20611211
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