Vitas-M small molecule compound

(2E)-1-(1,3-benzodioxol-5-yl)-3-{[3-(pyrrolidin-1-ylmethyl)phenyl]amino}prop-2-en-1-one

Catalog ID
STK902239
SMILES O=C(c1ccc2c(c1)OCO2)/C=C/Nc1cccc(c1)CN1CCCC1

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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 C21H22N2O3 MW 350.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O3/c24-19(17-6-7-20-21(13-17)26-15-25-20)8-9-22-18-5-3-4-16(12-18)14-23-10-1-2-11-23/h3-9,12-13,22H,1-2,10-11,14-15H2/b9-8+
InChIKey
IADNIDYZHVEBKD-CMDGGOBGSA-N
Synonyms

(2E)1(13benzodioxol5yl)3((3(pyrrolidin1ylmethyl)phenyl)amino)prop2en1one
(E)1(13benzodioxol5yl)3(3(pyrrolidin1ylmethyl)anilino)prop2en1one
C1CCN(C1)CC2=CC(=CC=C2)NC=CC(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC21H22N2O3c2419(17672021(1317)26152520)89221853416(1218)142310121123h39121322H1210111415H2b98+
MFCD18174765
O=C(c1ccc2c(c1)OCO2)C=CNc1cccc(c1)CN1CCCC1
ZINC000044842465
ZINC44842465

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Available files

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