Vitas-M small molecule compound
(3E,5E)-3,5-bis[(4,7-dimethoxy-1,3-benzodioxol-5-yl)methylidene]-1-ethylpiperidin-4-one
Catalog ID
STK694229
SMILES CCN1C/C(=C\c2cc(OC)c3c(c2OC)OCO3)/C(=O)/C(=C/c2cc(OC)c3c(c2OC)OCO3)/C1
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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 C27H29NO9 MW 511.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO9/c1-6-28-11-17(7-15-9-19(30-2)24-26(22(15)32-4)36-13-34-24)21(29)18(12-28)8-16-10-20(31-3)25-27(23(16)33-5)37-14-35-25/h7-10H,6,11-14H2,1-5H3/b17-7+,18-8+InChIKey
SRJHGEMZXGIYLS-ZEELXFFVSA-NSynonyms
(3E5E)35bis((47dimethoxy13benzodioxol5yl)methylidene)1ethylpiperidin4one
CCN1CC(=CC2=CC(=C3C(=C2OC)OCO3)OC)C(=O)C(=CC4=CC(=C5C(=C4OC)OCO5)OC)C1
CCN1CC(=Cc2cc(OC)c3c(c2OC)OCO3)C(=O)C(=Cc2cc(OC)c3c(c2OC)OCO3)C1
InChI=1SC27H29NO9c16281117(715919(302)2426(22(15)324)36133424)21(29)18(1228)8161020(313)2527(23(16)335)37143525h710H61114H215H3b177+188+
MFCD12034461
ZINC000035323918
ZINC35323918
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