Vitas-M small molecule compound
(2E)-3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Catalog ID
STK535608
SMILES N#C/C(=C\Nc1cc2OCOc2cc1C(=O)C)/c1scc(n1)c1ccc(cc1)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 C21H14BrN3O3S MW 468.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14BrN3O3S/c1-12(26)16-6-19-20(28-11-27-19)7-17(16)24-9-14(8-23)21-25-18(10-29-21)13-2-4-15(22)5-3-13/h2-7,9-10,24H,11H2,1H3/b14-9+InChIKey
FIKSLTUERLUIGB-NTEUORMPSA-NSynonyms
(2E)3((6acetyl13benzodioxol5yl)amino)2(4(4bromophenyl)13thiazol2yl)prop2enenitrile
(E)3((6ACETYL13BENZODIOXOL5YL)AMINO)2(4(4BROMOPHENYL)13THIAZOL2YL)PROP2ENENITRILE
(E)3((6acetylbenzo(d)(13)dioxol5yl)amino)2(4(4bromophenyl)thiazol2yl)acrylonitrile
CC(=O)C1=CC2=C(C=C1NC=C(C#N)C3=NC(=CS3)C4=CC=C(C=C4)Br)OCO2
InChI=1SC21H14BrN3O3Sc112(26)1661920(28112719)717(16)24914(823)212518(102921)132415(22)5313h2791024H11H21H3b149+
MFCD02982633
N#CC(=CNc1cc2OCOc2cc1C(=O)C)c1scc(n1)c1ccc(cc1)Br
ZINC000009057803
ZINC09057803
ZINC9057803
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