Vitas-M small molecule compound

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

Catalog ID
STK326012
SMILES CCOC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccccc1)C(C)CCC3

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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 C21H22N2O3S2 MW 414.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O3S2/c1-3-26-16(24)12-27-21-22-19-18(17-13(2)8-7-11-15(17)28-19)20(25)23(21)14-9-5-4-6-10-14/h4-6,9-10,13H,3,7-8,11-12H2,1-2H3
InChIKey
ZRAPOAPLIFUBCB-UHFFFAOYSA-N
Synonyms

CCOC(=O)CSC1=NC2=C(C3=C(S2)CCCC3C)C(=O)N1C4=CC=CC=C4
ethyl((5methyl4oxo3phenyl345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetate
ethyl2((5methyl4oxo3phenyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetate
InChI=1SC21H22N2O3S2c132616(24)122721221918(1713(2)871115(17)2819)20(25)23(21)1495461014h4691013H3781112H212H3
MFCD02239601
ZINC000006728079
ZINC000006728084

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Available files

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