Vitas-M small molecule compound
(2E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(4-bromo-2-methylphenyl)amino]prop-2-enenitrile
Catalog ID
STK898233
SMILES N#C/C(=C\Nc1ccc(cc1C)Br)/c1scc(n1)c1ccc2c(c1)OCO2
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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 C20H14BrN3O2S MW 440.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14BrN3O2S/c1-12-6-15(21)3-4-16(12)23-9-14(8-22)20-24-17(10-27-20)13-2-5-18-19(7-13)26-11-25-18/h2-7,9-10,23H,11H2,1H3/b14-9+InChIKey
VBYXFAYJEODYFM-NTEUORMPSA-NSynonyms
683257-69-4(2E)2(4(13benzodioxol5yl)13thiazol2yl)3((4bromo2methylphenyl)amino)prop2enenitrile
(E)2(4(13BENZODIOXOL5YL)13THIAZOL2YL)3(4BROMO2METHYLANILINO)PROP2ENENITRILE
683257694
CC1=C(C=CC(=C1)Br)NC=C(C#N)C2=NC(=CS2)C3=CC4=C(C=C3)OCO4
InChI=1SC20H14BrN3O2Sc112615(21)3416(12)23914(822)202417(102720)13251819(713)26112518h2791023H11H21H3b149+
MFCD04424028
N#CC(=CNc1ccc(cc1C)Br)c1scc(n1)c1ccc2c(c1)OCO2
ZINC000009445819
ZINC09445819
ZINC9445819
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