Vitas-M small molecule compound

prop-2-en-1-yl (2E)-3-(1,3-benzodioxol-5-yl)-2-{[(2-methoxyphenyl)carbonyl]amino}prop-2-enoate

Catalog ID
STK382028
SMILES C=CCOC(=O)/C(=C\c1ccc2c(c1)OCO2)/NC(=O)c1ccccc1OC

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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 C21H19NO6 MW 381.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19NO6/c1-3-10-26-21(24)16(11-14-8-9-18-19(12-14)28-13-27-18)22-20(23)15-6-4-5-7-17(15)25-2/h3-9,11-12H,1,10,13H2,2H3,(H,22,23)/b16-11+
InChIKey
JUCLNQUXZIDLGM-LFIBNONCSA-N
Synonyms

ALLYL3(13BENZODIOXOL5YL)2((2METHOXYBENZOYL)AMINO)ACRYLATE
C=CCOC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1OC
COC1=CC=CC=C1C(=O)NC(=CC2=CC3=C(C=C2)OCO3)C(=O)OCC=C
InChI=1SC21H19NO6c13102621(24)16(1114891819(1214)28132718)2220(23)15645717(15)252h391112H11013H22H3(H2223)b1611+
MFCD03037068
prop2en1yl(2E)3(13benzodioxol5yl)2(((2methoxyphenyl)carbonyl)amino)prop2enoate
PROP2ENYL(2E)3(2HBENZO(34D)13DIOXOLAN5YL)2((2METHOXYPHENYL)CARBONYLAMINO)PROP2ENOATE
PROP2ENYL(E)3(13BENZODIOXOL5YL)2((2METHOXYBENZOYL)AMINO)PROP2ENOATE
ZINC000002127110
ZINC02127110
ZINC2127110

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Available files

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