Vitas-M small molecule compound

methyl {[3-(4-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
STK830730
SMILES COC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)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 C21H22N2O3S2 MW 414.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O3S2/c1-13-8-10-14(11-9-13)23-20(25)18-15-6-4-3-5-7-16(15)28-19(18)22-21(23)27-12-17(24)26-2/h8-11H,3-7,12H2,1-2H3
InChIKey
WCFUGTUMFFEZNX-UHFFFAOYSA-N
Synonyms
361992-19-0
361992190
CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)OC)SC4=C3CCCCC4
InChI=1SC21H22N2O3S2c11381014(11913)2320(25)18156435716(15)2819(18)2221(23)271217(24)262h811H3712H212H3
methyl((3(4methylphenyl)4oxo356789hexahydro4Hcyclohepta(45)thieno(23d)pyrimidin2yl)sulfanyl)acetate
methyl2((3(4methylphenyl)4oxo6789tetrahydro5Hcyclohepta(23)thieno(24b)pyrimidin2yl)sulfanyl)acetate
methyl2((4oxo3(ptolyl)456789hexahydro3Hcyclohepta(45)thieno(23d)pyrimidin2yl)thio)acetate
MFCD01954508
ZINC000001171765
ZINC01171765
ZINC1171765

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Available files

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