Vitas-M small molecule compound
methyl 2-{[(2E)-3-(4-{[(2-chlorophenyl)carbonyl]oxy}phenyl)-2-cyanoprop-2-enoyl]amino}-5-phenylthiophene-3-carboxylate
Catalog ID
STK472602
SMILES N#C/C(=C\c1ccc(cc1)OC(=O)c1ccccc1Cl)/C(=O)Nc1sc(cc1C(=O)OC)c1ccccc1
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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 C29H19ClN2O5S MW 543.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H19ClN2O5S/c1-36-28(34)23-16-25(19-7-3-2-4-8-19)38-27(23)32-26(33)20(17-31)15-18-11-13-21(14-12-18)37-29(35)22-9-5-6-10-24(22)30/h2-16H,1H3,(H,32,33)/b20-15+InChIKey
XTHSHFCLQSVRQH-HMMYKYKNSA-NSynonyms
COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C(=CC3=CC=C(C=C3)OC(=O)C4=CC=CC=C4Cl)C#N
InChI=1SC29H19ClN2O5Sc13628(34)231625(197324819)3827(23)3226(33)20(1731)1518111321(141218)3729(35)229561024(22)30h216H1H3(H3233)b2015+
methyl2(((2E)3(4(((2chlorophenyl)carbonyl)oxy)phenyl)2cyanoprop2enoyl)amino)5phenylthiophene3carboxylate
methyl2(((E)3(4(2chlorobenzoyl)oxyphenyl)2cyanoprop2enoyl)amino)5phenylthiophene3carboxylate
METHYL2((2E)3(4(2CHLOROPHENYLCARBONYLOXY)PHENYL)2CYANOPROP2ENOYLAMINO)5PHENYLTHIOPHENE3CARBOXYLATE
MFCD07078480
N#CC(=Cc1ccc(cc1)OC(=O)c1ccccc1Cl)C(=O)Nc1sc(cc1C(=O)OC)c1ccccc1
ZINC000097965794
ZINC97965794
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