Vitas-M small molecule compound

(2E)-1-(1,3-benzodioxol-5-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)prop-2-en-1-one

Catalog ID
STK902222
SMILES O=C(c1ccc2c(c1)OCO2)/C=C/Nc1cccc2c1CCCC2

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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 C20H19NO3 MW 321.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19NO3/c22-18(15-8-9-19-20(12-15)24-13-23-19)10-11-21-17-7-3-5-14-4-1-2-6-16(14)17/h3,5,7-12,21H,1-2,4,6,13H2/b11-10+
InChIKey
VPJIUILYYDCTKC-ZHACJKMWSA-N
Synonyms

(2E)1(13benzodioxol5yl)3(5678tetrahydronaphthalen1ylamino)prop2en1one
(E)1(13benzodioxol5yl)3(5678tetrahydronaphthalen1ylamino)prop2en1one
C1CCC2=C(C1)C=CC=C2NC=CC(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC20H19NO3c2218(15891920(1215)24132319)1011211773514412616(14)17h3571221H124613H2b1110+
MFCD18174748
O=C(c1ccc2c(c1)OCO2)C=CNc1cccc2c1CCCC2
ZINC000044842389
ZINC44842389

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Available files

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