Vitas-M small molecule compound

(2E)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one

Catalog ID
STK902499
SMILES COc1ccc(cc1OC)C(=O)/C=C/Nc1ccc2c(c1)OCCO2

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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 C19H19NO5 MW 341.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19NO5/c1-22-16-5-3-13(11-18(16)23-2)15(21)7-8-20-14-4-6-17-19(12-14)25-10-9-24-17/h3-8,11-12,20H,9-10H2,1-2H3/b8-7+
InChIKey
UBPGQDXYZIYSHK-BQYQJAHWSA-N
Synonyms

(2E)3(23dihydro14benzodioxin6ylamino)1(34dimethoxyphenyl)prop2en1one
(E)3(23dihydro14benzodioxin6ylamino)1(34dimethoxyphenyl)prop2en1one
COC1=C(C=C(C=C1)C(=O)C=CNC2=CC3=C(C=C2)OCCO3)OC
COc1ccc(cc1OC)C(=O)C=CNc1ccc2c(c1)OCCO2
InChI=1SC19H19NO5c122165313(1118(16)232)15(21)782014461719(1214)251092417h38111220H910H212H3b87+
MFCD18175007
ZINC000044843600
ZINC44843600

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.