Vitas-M small molecule compound
(2E)-N-(1,3-benzodioxol-5-yl)-2-cyano-3-[4-(methylsulfanyl)phenyl]prop-2-enamide
Catalog ID
STK441984
SMILES N#C/C(=C\c1ccc(cc1)SC)/C(=O)Nc1ccc2c(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 C18H14N2O3S MW 338.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14N2O3S/c1-24-15-5-2-12(3-6-15)8-13(10-19)18(21)20-14-4-7-16-17(9-14)23-11-22-16/h2-9H,11H2,1H3,(H,20,21)/b13-8+InChIKey
OCNWQHJHOBJRTH-MDWZMJQESA-NSynonyms
(2E)N(13benzodioxol5yl)2cyano3(4(methylsulfanyl)phenyl)prop2enamide
(2E)N(2HBENZO(34D)13DIOXOLAN5YL)2CYANO3(4METHYLTHIOPHENYL)PROP2ENAMIDE
(E)N(13benzodioxol5yl)2cyano3(4methylsulfanylphenyl)prop2enamide
CSC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=CC3=C(C=C2)OCO3
InChI=1SC18H14N2O3Sc124155212(3615)813(1019)18(21)2014471617(914)23112216h29H11H21H3(H2021)b138+
MFCD03900633
N#CC(=Cc1ccc(cc1)SC)C(=O)Nc1ccc2c(c1)OCO2
ZINC000017070983
ZINC17070983
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