Vitas-M small molecule compound
methyl 2-{[(2E)-3-(1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoyl]amino}-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
Catalog ID
STK434335
SMILES N#C/C(=C\c1ccc2c(c1)OCO2)/C(=O)Nc1sc(c(c1C(=O)OC)C)C(=O)N(C)C
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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 C21H19N3O6S MW 441.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O6S/c1-11-16(21(27)28-4)19(31-17(11)20(26)24(2)3)23-18(25)13(9-22)7-12-5-6-14-15(8-12)30-10-29-14/h5-8H,10H2,1-4H3,(H,23,25)/b13-7+InChIKey
ZXELEMHISBIAPK-NTUHNPAUSA-NSynonyms
CC1=C(SC(=C1C(=O)OC)NC(=O)C(=CC2=CC3=C(C=C2)OCO3)C#N)C(=O)N(C)C
InChI=1SC21H19N3O6Sc11116(21(27)284)19(3117(11)20(26)24(2)3)2318(25)13(922)712561415(812)30102914h58H10H214H3(H2325)b137+
methyl2(((2E)3(13benzodioxol5yl)2cyanoprop2enoyl)amino)5(dimethylcarbamoyl)4methylthiophene3carboxylate
METHYL2(((E)3(13BENZODIOXOL5YL)2CYANOPROP2ENOYL)AMINO)5(DIMETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
METHYL2((2E)3(2HBENZO(34D)13DIOXOLEN5YL)2CYANOPROP2ENOYLAMINO)5(NNDIMETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
MFCD03942812
N#CC(=Cc1ccc2c(c1)OCO2)C(=O)Nc1sc(c(c1C(=O)OC)C)C(=O)N(C)C
ZINC000019633550
ZINC19633550
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