Vitas-M small molecule compound

ethyl {[3-(2-methylphenyl)-4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate

Catalog ID
STK532427
SMILES CCOC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccccc1C)CCCCC3

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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 C22H24N2O3S2 MW 428.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N2O3S2/c1-3-27-18(25)13-28-22-23-20-19(15-10-5-4-6-12-17(15)29-20)21(26)24(22)16-11-8-7-9-14(16)2/h7-9,11H,3-6,10,12-13H2,1-2H3
InChIKey
VFRSEZPDWBYGRX-UHFFFAOYSA-N
Synonyms

CCOC(=O)CSC1=NC2=C(C3=C(S2)CCCCC3)C(=O)N1C4=CC=CC=C4C
ethyl((3(2methylphenyl)4oxo356789hexahydro4Hcyclohepta(45)thieno(23d)pyrimidin2yl)sulfanyl)acetate
ethyl2((3(2methylphenyl)4oxo6789tetrahydro5Hcyclohepta(23)thieno(24b)pyrimidin2yl)sulfanyl)acetate
ethyl2((4oxo3(otolyl)456789hexahydro3Hcyclohepta(45)thieno(23d)pyrimidin2yl)thio)acetate
InChI=1SC22H24N2O3S2c132718(25)132822232019(15105461217(15)2920)21(26)24(22)161187914(16)2h7911H36101213H212H3
MFCD02993577
ZINC000002301120
ZINC02301120
ZINC2301120

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Available files

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