Vitas-M small molecule compound

methyl (2Z)-3-(1,3-benzodioxol-5-yl)-2-{[(3-bromophenyl)carbonyl]amino}prop-2-enoate

Catalog ID
STK382005
SMILES COC(=O)/C(=C/c1ccc2c(c1)OCO2)/NC(=O)c1cccc(c1)Br

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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 C18H14BrNO5 MW 404.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14BrNO5/c1-23-18(22)14(20-17(21)12-3-2-4-13(19)9-12)7-11-5-6-15-16(8-11)25-10-24-15/h2-9H,10H2,1H3,(H,20,21)/b14-7-
InChIKey
PPKJYYWSSHZJPL-AUWJEWJLSA-N
Synonyms

COC(=O)C(=CC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC(=CC=C3)Br
COC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1cccc(c1)Br
InChI=1SC18H14BrNO5c12318(22)14(2017(21)1232413(19)912)711561516(811)25102415h29H10H21H3(H2021)b147
methyl(2Z)3(13benzodioxol5yl)2(((3bromophenyl)carbonyl)amino)prop2enoate
METHYL(Z)3(13BENZODIOXOL5YL)2((3BROMOBENZOYL)AMINO)PROP2ENOATE
METHYL3(2HBENZO(34D)13DIOXOLAN5YL)(2Z)2((3BROMOPHENYL)CARBONYLAMINO)PROP2ENOATE
MFCD03037057
ZINC000004526223
ZINC04526223
ZINC4526223

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Available files

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