Vitas-M small molecule compound
ethyl 4-(2-chlorophenyl)-5-cyano-6-[(2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-2-oxoethyl)sulfanyl]-2-phenyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK886232
SMILES CCOC(=O)C1=C(NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)Nc1sc2c(c1C(=O)OCC)CCCC2)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 C34H32ClN3O5S2 MW 662.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H32ClN3O5S2/c1-3-42-33(40)28-22-15-9-11-17-25(22)45-32(28)37-26(39)19-44-31-23(18-36)27(21-14-8-10-16-24(21)35)29(34(41)43-4-2)30(38-31)20-12-6-5-7-13-20/h5-8,10,12-14,16,27,38H,3-4,9,11,15,17,19H2,1-2H3,(H,37,39)InChIKey
LQLCHMBZNPWDID-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C#N)SCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OCC)C5=CC=CC=C5
ethyl4(2chlorophenyl)5cyano6((2((3(ethoxycarbonyl)4567tetrahydro1benzothiophen2yl)amino)2oxoethyl)sulfanyl)2phenyl14dihydropyridine3carboxylate
ethyl4(2chlorophenyl)5cyano6(2((3ethoxycarbonyl4567tetrahydro1benzothiophen2yl)amino)2oxoethyl)sulfanyl2phenyl14dihydropyridine3carboxylate
InChI=1SC34H32ClN3O5S2c134233(40)2822159111725(22)4532(28)3726(39)19443123(1836)27(21148101624(21)35)29(34(41)4342)30(3831)20126571320h58101214162738H34911151719H212H3(H3739)
MFCD05717340
ZINC000033357722
ZINC000033357723
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