Vitas-M small molecule compound
ethyl 3-[({[(3-benzyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)methyl]-4-methylbenzoate
Catalog ID
STK664925
SMILES CCOC(=O)c1ccc(c(c1)CNC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCC3)C
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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 C30H31N3O4S2 MW 561.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31N3O4S2/c1-3-37-29(36)21-14-13-19(2)22(15-21)16-31-25(34)18-38-30-32-27-26(23-11-7-8-12-24(23)39-27)28(35)33(30)17-20-9-5-4-6-10-20/h4-6,9-10,13-15H,3,7-8,11-12,16-18H2,1-2H3,(H,31,34)InChIKey
JAOYZWRLLQVBQZ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC(=C(C=C1)C)CNC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2CC5=CC=CC=C5
ethyl3(((((3benzyl4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetyl)amino)methyl)4methylbenzoate
ethyl3(((2((3benzyl4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetyl)amino)methyl)4methylbenzoate
InChI=1SC30H31N3O4S2c133729(36)21141319(2)22(1521)163125(34)183830322726(2311781224(23)3927)28(35)33(30)172095461020h469101315H37811121618H212H3(H3134)
MFCD07658128
ZINC000098008994
ZINC98008994
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