Vitas-M small molecule compound
propan-2-yl 2-{[(2E)-3-(6-chloro-1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoyl]amino}thiophene-3-carboxylate
Catalog ID
STK473465
SMILES N#C/C(=C\c1cc2OCOc2cc1Cl)/C(=O)Nc1sccc1C(=O)OC(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 C19H15ClN2O5S MW 418.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15ClN2O5S/c1-10(2)27-19(24)13-3-4-28-18(13)22-17(23)12(8-21)5-11-6-15-16(7-14(11)20)26-9-25-15/h3-7,10H,9H2,1-2H3,(H,22,23)/b12-5+InChIKey
YRCFXQAOXUGCSU-LFYBBSHMSA-NSynonyms
CC(C)OC(=O)C1=C(SC=C1)NC(=O)C(=CC2=CC3=C(C=C2Cl)OCO3)C#N
InChI=1SC19H15ClN2O5Sc110(2)2719(24)13342818(13)2217(23)12(821)51161516(714(11)20)2692515h3710H9H212H3(H2223)b125+
MFCD07093429
N#CC(=Cc1cc2OCOc2cc1Cl)C(=O)Nc1sccc1C(=O)OC(C)C
propan2yl2(((2E)3(6chloro13benzodioxol5yl)2cyanoprop2enoyl)amino)thiophene3carboxylate
propan2yl2(((E)3(6chloro13benzodioxol5yl)2cyanoprop2enoyl)amino)thiophene3carboxylate
ZINC000017091673
ZINC17091673
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