Vitas-M small molecule compound
methyl 2-{[(2E)-2-cyano-3-{2-[(2-fluorobenzyl)oxy]phenyl}prop-2-enoyl]amino}-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
Catalog ID
STK435069
SMILES N#C/C(=C\c1ccccc1OCc1ccccc1F)/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 C27H24FN3O5S MW 521.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24FN3O5S/c1-16-22(27(34)35-4)25(37-23(16)26(33)31(2)3)30-24(32)19(14-29)13-17-9-6-8-12-21(17)36-15-18-10-5-7-11-20(18)28/h5-13H,15H2,1-4H3,(H,30,32)/b19-13+InChIKey
HNHYSVPPDRSJIN-CPNJWEJPSA-NSynonyms
CC1=C(SC(=C1C(=O)OC)NC(=O)C(=CC2=CC=CC=C2OCC3=CC=CC=C3F)C#N)C(=O)N(C)C
InChI=1SC27H24FN3O5Sc11622(27(34)354)25(3723(16)26(33)31(2)3)3024(32)19(1429)13179681221(17)36151810571120(18)28h513H15H214H3(H3032)b1913+
methyl2(((2E)2cyano3(2((2fluorobenzyl)oxy)phenyl)prop2enoyl)amino)5(dimethylcarbamoyl)4methylthiophene3carboxylate
METHYL2(((E)2CYANO3(2((2FLUOROPHENYL)METHOXY)PHENYL)PROP2ENOYL)AMINO)5(DIMETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
METHYL2((2E)2CYANO3(2((2FLUOROPHENYL)METHOXY)PHENYL)PROP2ENOYLAMINO)5(NNDIMETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
MFCD03943104
N#CC(=Cc1ccccc1OCc1ccccc1F)C(=O)Nc1sc(c(c1C(=O)OC)C)C(=O)N(C)C
ZINC000020294824
ZINC20294824
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.