Vitas-M small molecule compound
(2E)-1-(1,3-benzodioxol-5-yl)-3-{[4-(methylsulfanyl)phenyl]amino}prop-2-en-1-one
Catalog ID
STK902320
SMILES CSc1ccc(cc1)N/C=C/C(=O)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 C17H15NO3S MW 313.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15NO3S/c1-22-14-5-3-13(4-6-14)18-9-8-15(19)12-2-7-16-17(10-12)21-11-20-16/h2-10,18H,11H2,1H3/b9-8+InChIKey
WGDFNDAIROWSOD-CMDGGOBGSA-NSynonyms
(2E)1(13benzodioxol5yl)3((4(methylsulfanyl)phenyl)amino)prop2en1one
(E)1(13benzodioxol5yl)3(4methylsulfanylanilino)prop2en1one
CSC1=CC=C(C=C1)NC=CC(=O)C2=CC3=C(C=C2)OCO3
CSc1ccc(cc1)NC=CC(=O)c1ccc2c(c1)OCO2
InChI=1SC17H15NO3Sc122145313(4614)189815(19)12271617(1012)21112016h21018H11H21H3b98+
MFCD18174846
ZINC000044842838
ZINC44842838
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