Vitas-M small molecule compound

methyl 4-{[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}benzoate

Catalog ID
STL079445
SMILES COC(=O)c1ccc(cc1)CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CCCC3

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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 C25H22N2O3S2 MW 462.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O3S2/c1-30-24(29)17-13-11-16(12-14-17)15-31-25-26-22-21(19-9-5-6-10-20(19)32-22)23(28)27(25)18-7-3-2-4-8-18/h2-4,7-8,11-14H,5-6,9-10,15H2,1H3
InChIKey
VOTFCSREZQUBFN-UHFFFAOYSA-N
Synonyms
6072-24-8
6072248
COC(=O)C1=CC=C(C=C1)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=CC=C5
InChI=1SC25H22N2O3S2c13024(29)17131116(121417)153125262221(199561020(19)3222)23(28)27(25)187324818h24781114H5691015H21H3
methyl4(((4oxo3phenyl345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)methyl)benzoate
methyl4(((4oxo3phenyl345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)methyl)benzoate
methyl4((4oxo3phenyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanylmethyl)benzoate
MFCD01945356
ZINC000002278436
ZINC02278436
ZINC2278436

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Available files

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