Vitas-M small molecule compound
ethyl 4-({[5-cyano-6-({2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl}sulfanyl)-2-methyl-4-phenyl-1,4-dihydropyridin-3-yl]carbonyl}amino)benzoate
Catalog ID
STK826433
SMILES CCOC(=O)c1ccc(cc1)NC(=O)C1=C(C)NC(=C(C1c1ccccc1)C#N)SCC(=O)Nc1sc2c(c1C#N)CCCC2
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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 C34H31N5O4S2 MW 637.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H31N5O4S2/c1-3-43-34(42)22-13-15-23(16-14-22)38-31(41)29-20(2)37-32(26(18-36)30(29)21-9-5-4-6-10-21)44-19-28(40)39-33-25(17-35)24-11-7-8-12-27(24)45-33/h4-6,9-10,13-16,30,37H,3,7-8,11-12,19H2,1-2H3,(H,38,41)(H,39,40)InChIKey
KUTKGVVBZSPCAD-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(NC(=C(C2C3=CC=CC=C3)C#N)SCC(=O)NC4=C(C5=C(S4)CCCC5)C#N)C
ethyl4(((5cyano6((2((3cyano4567tetrahydro1benzothiophen2yl)amino)2oxoethyl)sulfanyl)2methyl4phenyl14dihydropyridin3yl)carbonyl)amino)benzoate
ethyl4((5cyano6(2((3cyano4567tetrahydro1benzothiophen2yl)amino)2oxoethyl)sulfanyl2methyl4phenyl14dihydropyridine3carbonyl)amino)benzoate
InChI=1SC34H31N5O4S2c134334(42)22131523(161422)3831(41)2920(2)3732(26(1836)30(29)2195461021)441928(40)393325(1735)2411781227(24)4533h4691013163037H378111219H212H3(H3841)(H3940)
MFCD10086349
ZINC000098048586
ZINC000098048587
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