Vitas-M small molecule compound

ethyl 2-{[({3-cyano-4-(furan-2-yl)-6-methyl-5-[(2-methylphenyl)carbamoyl]-1,4-dihydropyridin-2-yl}sulfanyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK887240
SMILES CCOC(=O)c1c(NC(=O)CSC2=C(C#N)C(C(=C(N2)C)C(=O)Nc2ccccc2C)c2ccco2)sc2c1CCCC2

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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 C32H32N4O5S2 MW 616.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H32N4O5S2/c1-4-40-32(39)28-20-11-6-8-14-24(20)43-31(28)36-25(37)17-42-30-21(16-33)27(23-13-9-15-41-23)26(19(3)34-30)29(38)35-22-12-7-5-10-18(22)2/h5,7,9-10,12-13,15,27,34H,4,6,8,11,14,17H2,1-3H3,(H,35,38)(H,36,37)
InChIKey
XTUQLTIMDJYNES-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=C(C(C(=C(N3)C)C(=O)NC4=CC=CC=C4C)C5=CC=CO5)C#N
ethyl2((((3cyano4(furan2yl)6methyl5((2methylphenyl)carbamoyl)14dihydropyridin2yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((2((3cyano4(furan2yl)6methyl5((2methylphenyl)carbamoyl)14dihydropyridin2yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC32H32N4O5S2c144032(39)282011681424(20)4331(28)3625(37)17423021(1633)27(23139154123)26(19(3)3430)29(38)352212751018(22)2h579101213152734H468111417H213H3(H3538)(H3637)
MFCD10088085
ZINC000102760524
ZINC000102760526

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Available files

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