Vitas-M small molecule compound

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

Catalog ID
STK831054
SMILES CCOC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)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/c1-2-27-18(25)14-28-22-23-20-19(16-11-7-4-8-12-17(16)29-20)21(26)24(22)13-15-9-5-3-6-10-15/h3,5-6,9-10H,2,4,7-8,11-14H2,1H3
InChIKey
JRDUGQGLTYBRAX-UHFFFAOYSA-N
Synonyms
351162-37-3
351162373
CCOC(=O)CSC1=NC2=C(C3=C(S2)CCCCC3)C(=O)N1CC4=CC=CC=C4
ethyl((3benzyl4oxo356789hexahydro4Hcyclohepta(45)thieno(23d)pyrimidin2yl)sulfanyl)acetate
ethyl2((3benzyl4oxo456789hexahydro3Hcyclohepta(45)thieno(23d)pyrimidin2yl)thio)acetate
ethyl2((3benzyl4oxo6789tetrahydro5Hcyclohepta(23)thieno(24b)pyrimidin2yl)sulfanyl)acetate
InChI=1SC22H24N2O3S2c122718(25)142822232019(16117481217(16)2920)21(26)24(22)131595361015h356910H24781114H21H3
MFCD01878270
ZINC000000985709
ZINC00985709
ZINC985709

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Available files

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