Vitas-M small molecule compound

2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

Catalog ID
STL444147
SMILES O=C(N1CCc2c(C1)cccc2)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 C27H25N3O2S2 MW 487.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O2S2/c31-23(29-15-14-18-8-4-5-9-19(18)16-29)17-33-27-28-25-24(21-12-6-7-13-22(21)34-25)26(32)30(27)20-10-2-1-3-11-20/h1-5,8-11H,6-7,12-17H2
InChIKey
KWPUSPDUJJUXNU-UHFFFAOYSA-N
Synonyms
522639-59-4
2((2(34dihydroisoquinolin2(1H)yl)2oxoethyl)sulfanyl)3phenyl5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(2(34dihydro1Hisoquinolin2yl)2oxoethyl)sulfanyl3phenyl5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
522639594
C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=CC=CC=C4)SCC(=O)N5CCC6=CC=CC=C6C5
InChI=1SC27H25N3O2S2c3123(29151418845919(18)1629)173327282524(2112671322(21)3425)26(32)30(27)20102131120h15811H671217H2
MFCD03216548
ZINC000001100035
ZINC01100035
ZINC1100035

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Available files

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