Vitas-M small molecule compound
2-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}-5-benzyl-4-methylthiophene-3-carboxamide
Catalog ID
STK028651
SMILES NC(=O)c1c(/N=C/c2ccc3c(c2)OCO3)sc(c1C)Cc1ccccc1
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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 C21H18N2O3S MW 378.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O3S/c1-13-18(10-14-5-3-2-4-6-14)27-21(19(13)20(22)24)23-11-15-7-8-16-17(9-15)26-12-25-16/h2-9,11H,10,12H2,1H3,(H2,22,24)/b23-11+InChIKey
JTBCUZRSOWVNEG-FOKLQQMPSA-NSynonyms
2(((E)13BENZODIOXOL5YLMETHYLIDENE)AMINO)5BENZYL4METHYLTHIOPHENE3CARBOXAMIDE
2((E)13benzodioxol5ylmethylideneamino)5benzyl4methylthiophene3carboxamide
CC1=C(SC(=C1C(=O)N)N=CC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4
InChI=1SC21H18N2O3Sc11318(10145324614)2721(19(13)20(22)24)231115781617(915)26122516h2911H1012H21H3(H22224)b2311+
MFCD01439070
NC(=O)c1c(N=Cc2ccc3c(c2)OCO3)sc(c1C)Cc1ccccc1
STK028651
ZINC000005533498
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