Vitas-M small molecule compound
propan-2-yl 2-{[(2E)-3-{4-[(3-chlorobenzyl)oxy]phenyl}-2-cyanoprop-2-enoyl]amino}thiophene-3-carboxylate
Catalog ID
STK472711
SMILES N#C/C(=C\c1ccc(cc1)OCc1cccc(c1)Cl)/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 C25H21ClN2O4S MW 480.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClN2O4S/c1-16(2)32-25(30)22-10-11-33-24(22)28-23(29)19(14-27)12-17-6-8-21(9-7-17)31-15-18-4-3-5-20(26)13-18/h3-13,16H,15H2,1-2H3,(H,28,29)/b19-12+InChIKey
TVHXCLGQCNWAIL-XDHOZWIPSA-NSynonyms
CC(C)OC(=O)C1=C(SC=C1)NC(=O)C(=CC2=CC=C(C=C2)OCC3=CC(=CC=C3)Cl)C#N
InChI=1SC25H21ClN2O4Sc116(2)3225(30)2210113324(22)2823(29)19(1427)12176821(9717)31151843520(26)1318h31316H15H212H3(H2829)b1912+
METHYLETHYL2((2E)3(4((3CHLOROPHENYL)METHOXY)PHENYL)2CYANOPROP2ENOYLAMINO)THIOPHENE3CARBOXYLATE
MFCD07093401
N#CC(=Cc1ccc(cc1)OCc1cccc(c1)Cl)C(=O)Nc1sccc1C(=O)OC(C)C
propan2yl2(((2E)3(4((3chlorobenzyl)oxy)phenyl)2cyanoprop2enoyl)amino)thiophene3carboxylate
propan2yl2(((E)3(4((3chlorophenyl)methoxy)phenyl)2cyanoprop2enoyl)amino)thiophene3carboxylate
ZINC000020549851
ZINC20549851
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