Vitas-M small molecule compound
(2Z)-3-(1,3-benzodioxol-5-yl)-2-{[(2-bromophenyl)carbonyl]amino}prop-2-enoic acid
Catalog ID
STL304936
SMILES OC(=O)/C(=C/c1ccc2c(c1)OCO2)/NC(=O)c1ccccc1Br
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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 C17H12BrNO5 MW 390.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12BrNO5/c18-12-4-2-1-3-11(12)16(20)19-13(17(21)22)7-10-5-6-14-15(8-10)24-9-23-14/h1-8H,9H2,(H,19,20)(H,21,22)/b13-7-InChIKey
KARCWJIHYZRGEU-QPEQYQDCSA-NSynonyms
(2Z)3(13benzodioxol5yl)2(((2bromophenyl)carbonyl)amino)prop2enoicacid
(E)3(benzo(d)(13)dioxol5yl)2(2bromobenzamido)acrylicacid
(Z)3(13BENZODIOXOL5YL)2((2BROMOBENZOYL)AMINO)PROP2ENOICACID
3BENZO(13)DIOXOL5YL2(2BROMOBENZOYLAMINO)ACRYLICACID
C1OC2=C(O1)C=C(C=C2)C=C(C(=O)O)NC(=O)C3=CC=CC=C3Br
InChI=1SC17H12BrNO5c1812421311(12)16(20)1913(17(21)22)710561415(810)2492314h18H9H2(H1920)(H2122)b137
MFCD02223952
OC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1Br
ZINC000004907074
ZINC4907074
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