Vitas-M small molecule compound
(3E,5E)-3,5-bis[(4,7-dimethoxy-1,3-benzodioxol-5-yl)methylidene]-1-(propan-2-yl)piperidin-4-one
Catalog ID
STK694352
SMILES COc1c(/C=C/2\CN(C/C(=C\c3cc(OC)c4c(c3OC)OCO4)/C2=O)C(C)C)cc(c2c1OCO2)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 C28H31NO9 MW 525.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO9/c1-15(2)29-11-18(7-16-9-20(31-3)25-27(23(16)33-5)37-13-35-25)22(30)19(12-29)8-17-10-21(32-4)26-28(24(17)34-6)38-14-36-26/h7-10,15H,11-14H2,1-6H3/b18-7+,19-8+InChIKey
LYRNUGRKWMDWPD-NDILIQOGSA-NSynonyms
(3E5E)35bis((47dimethoxy13benzodioxol5yl)methylidene)1(propan2yl)piperidin4one
(3E5E)35bis((47dimethoxy13benzodioxol5yl)methylidene)1propan2ylpiperidin4one
CC(C)N1CC(=CC2=CC(=C3C(=C2OC)OCO3)OC)C(=O)C(=CC4=CC(=C5C(=C4OC)OCO5)OC)C1
COc1c(C=C2CN(CC(=Cc3cc(OC)c4c(c3OC)OCO4)C2=O)C(C)C)cc(c2c1OCO2)OC
InChI=1SC28H31NO9c115(2)291118(716920(313)2527(23(16)335)37133525)22(30)19(1229)8171021(324)2628(24(17)346)38143626h71015H1114H216H3b187+198+
MFCD12034595
ZINC000035324200
ZINC35324200
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