Vitas-M small molecule compound
(2E)-1-(4-chlorophenyl)-3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)prop-2-en-1-one
Catalog ID
STK693037
SMILES COc1c(/C=C/C(=O)c2ccc(cc2)Cl)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 C18H15ClO5 MW 346.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15ClO5/c1-21-15-9-12(16(22-2)18-17(15)23-10-24-18)5-8-14(20)11-3-6-13(19)7-4-11/h3-9H,10H2,1-2H3/b8-5+InChIKey
MEJFUTDMLQJCIX-VMPITWQZSA-NSynonyms
(2E)1(4chlorophenyl)3(47dimethoxy13benzodioxol5yl)prop2en1one
(2E)3(47DIMETHOXY(2HBENZO(D)13DIOXOLEN5YL))1(4CHLOROPHENYL)PROP2EN1ONE
(E)1(4chlorophenyl)3(47dimethoxy13benzodioxol5yl)prop2en1one
COC1=C2C(=C(C(=C1)C=CC(=O)C3=CC=C(C=C3)Cl)OC)OCO2
COc1c(C=CC(=O)c2ccc(cc2)Cl)cc(c2c1OCO2)OC
InChI=1SC18H15ClO5c12115912(16(222)1817(15)23102418)5814(20)113613(19)7411h39H10H212H3b85+
MFCD10039114
ZINC000015085618
ZINC15085618
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