Vitas-M small molecule compound

(2Z)-3-(1,3-benzodioxol-5-yl)-2-{[(4-bromophenyl)carbonyl]amino}prop-2-enoic acid

Catalog ID
STL304932
SMILES Brc1ccc(cc1)C(=O)N/C(=C\c1ccc2c(c1)OCO2)/C(=O)O

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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/c18-12-4-2-11(3-5-12)16(20)19-13(17(21)22)7-10-1-6-14-15(8-10)24-9-23-14/h1-8H,9H2,(H,19,20)(H,21,22)/b13-7-
InChIKey
OCRPDAKFWLZTSU-QPEQYQDCSA-N
Synonyms

(2Z)3(13benzodioxol5yl)2(((4bromophenyl)carbonyl)amino)prop2enoicacid
(E)3(benzo(d)(13)dioxol5yl)2(4bromobenzamido)acrylicacid
(Z)3(13BENZODIOXOL5YL)2((4BROMOBENZOYL)AMINO)PROP2ENOICACID
3BENZO(13)DIOXOL5YL2(4BROMOBENZOYLAMINO)ACRYLICACID
Brc1ccc(cc1)C(=O)NC(=Cc1ccc2c(c1)OCO2)C(=O)O
C1OC2=C(O1)C=C(C=C2)C=C(C(=O)O)NC(=O)C3=CC=C(C=C3)Br
InChI=1SC17H12BrNO5c18124211(3512)16(20)1913(17(21)22)710161415(810)2492314h18H9H2(H1920)(H2122)b137
MFCD02223941
ZINC000004907073
ZINC4907073

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Available files

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