Vitas-M small molecule compound

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

Catalog ID
STK829936
SMILES CCCCCOC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)OC)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 C25H30N2O4S2 MW 486.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2O4S2/c1-3-4-8-15-31-21(28)16-32-25-26-23-22(19-9-6-5-7-10-20(19)33-23)24(29)27(25)17-11-13-18(30-2)14-12-17/h11-14H,3-10,15-16H2,1-2H3
InChIKey
DMXSJHPBUBSLSH-UHFFFAOYSA-N
Synonyms
351160-01-5
351160015
CCCCCOC(=O)CSC1=NC2=C(C3=C(S2)CCCCC3)C(=O)N1C4=CC=C(C=C4)OC
InChI=1SC25H30N2O4S2c1348153121(28)163225262322(1996571020(19)3323)24(29)27(25)17111318(302)141217h1114H3101516H212H3
MFCD01875426
pentyl((3(4methoxyphenyl)4oxo356789hexahydro4Hcyclohepta(45)thieno(23d)pyrimidin2yl)sulfanyl)acetate
pentyl2((3(4methoxyphenyl)4oxo456789hexahydro3Hcyclohepta(45)thieno(23d)pyrimidin2yl)thio)acetate
pentyl2((3(4methoxyphenyl)4oxo6789tetrahydro5Hcyclohepta(23)thieno(24b)pyrimidin2yl)sulfanyl)acetate
ZINC000002271021
ZINC02271021
ZINC2271021

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Available files

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