Vitas-M small molecule compound
(2E)-3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-1-(pyrrolidin-1-yl)prop-2-en-1-one
Catalog ID
STK693116
SMILES COc1c(/C=C/C(=O)N2CCCC2)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 C16H19NO5 MW 305.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19NO5/c1-19-12-9-11(5-6-13(18)17-7-3-4-8-17)14(20-2)16-15(12)21-10-22-16/h5-6,9H,3-4,7-8,10H2,1-2H3/b6-5+InChIKey
DHBSAIRWOGBSFL-AATRIKPKSA-NSynonyms
(2E)3(47dimethoxy13benzodioxol5yl)1(pyrrolidin1yl)prop2en1one
(E)3(47dimethoxy13benzodioxol5yl)1pyrrolidin1ylprop2en1one
COC1=C2C(=C(C(=C1)C=CC(=O)N3CCCC3)OC)OCO2
COc1c(C=CC(=O)N2CCCC2)cc(c2c1OCO2)OC
InChI=1SC16H19NO5c11912911(5613(18)17734817)14(202)1615(12)21102216h569H347810H212H3b65+
MFCD10039196
ZINC000015085917
ZINC15085917
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