Vitas-M small molecule compound

pentyl {[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
STK831021
SMILES CCCCCOC(=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 C25H30N2O3S2 MW 470.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2O3S2/c1-3-4-8-15-30-21(28)16-31-25-26-23-22(19-9-6-5-7-10-20(19)32-23)24(29)27(25)18-13-11-17(2)12-14-18/h11-14H,3-10,15-16H2,1-2H3
InChIKey
CAGUHDCMPXEVND-UHFFFAOYSA-N
Synonyms
351161-77-8
351161778
CCCCCOC(=O)CSC1=NC2=C(C3=C(S2)CCCCC3)C(=O)N1C4=CC=C(C=C4)C
InChI=1SC25H30N2O3S2c1348153021(28)163125262322(1996571020(19)3223)24(29)27(25)18131117(2)121418h1114H3101516H212H3
MFCD01875799
pentyl((3(4methylphenyl)4oxo356789hexahydro4Hcyclohepta(45)thieno(23d)pyrimidin2yl)sulfanyl)acetate
pentyl2((3(4methylphenyl)4oxo6789tetrahydro5Hcyclohepta(23)thieno(24b)pyrimidin2yl)sulfanyl)acetate
pentyl2((4oxo3(ptolyl)456789hexahydro3Hcyclohepta(45)thieno(23d)pyrimidin2yl)thio)acetate
ZINC000002271302
ZINC02271302
ZINC2271302

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Available files

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