Vitas-M small molecule compound
methyl 5-benzyl-2-({(2E)-3-[1-(2-chlorobenzyl)-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enoyl}amino)thiophene-3-carboxylate
Catalog ID
STK439969
SMILES N#C/C(=C\c1cn(nc1c1ccc(c(c1)OC)OC)Cc1ccccc1Cl)/C(=O)Nc1sc(cc1C(=O)OC)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 C35H29ClN4O5S MW 653.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H29ClN4O5S/c1-43-30-14-13-23(17-31(30)44-2)32-26(21-40(39-32)20-24-11-7-8-12-29(24)36)16-25(19-37)33(41)38-34-28(35(42)45-3)18-27(46-34)15-22-9-5-4-6-10-22/h4-14,16-18,21H,15,20H2,1-3H3,(H,38,41)/b25-16+InChIKey
DIBRXOVWLFBMAC-PCLIKHOPSA-NSynonyms
COC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NC3=C(C=C(S3)CC4=CC=CC=C4)C(=O)OC)CC5=CC=CC=C5Cl)OC
InChI=1SC35H29ClN4O5Sc14330141323(1731(30)442)3226(2140(3932)202411781229(24)36)1625(1937)33(41)383428(35(42)453)1827(4634)152295461022h414161821H1520H213H3(H3841)b2516+
METHYL2((2E)3(3(34DIMETHOXYPHENYL)1((2CHLOROPHENYL)METHYL)PYRAZOL4YL)2CYANOPROP2ENOYLAMINO)5BENZYLTHIOPHENE3CARBOXYLATE
methyl5benzyl2(((2E)3(1(2chlorobenzyl)3(34dimethoxyphenyl)1Hpyrazol4yl)2cyanoprop2enoyl)amino)thiophene3carboxylate
METHYL5BENZYL2(((E)3(1((2CHLOROPHENYL)METHYL)3(34DIMETHOXYPHENYL)PYRAZOL4YL)2CYANOPROP2ENOYL)AMINO)THIOPHENE3CARBOXYLATE
MFCD03946114
N#CC(=Cc1cn(nc1c1ccc(c(c1)OC)OC)Cc1ccccc1Cl)C(=O)Nc1sc(cc1C(=O)OC)Cc1ccccc1
ZINC000097965622
ZINC97965622
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