Vitas-M small molecule compound
pentyl {[3-benzyl-4-oxo-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Catalog ID
STK539394
SMILES CCCCCOC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC(OC3)C(C)C
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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 C26H32N2O4S2 MW 500.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N2O4S2/c1-4-5-9-12-31-22(29)16-33-26-27-24-23(19-13-20(17(2)3)32-15-21(19)34-24)25(30)28(26)14-18-10-7-6-8-11-18/h6-8,10-11,17,20H,4-5,9,12-16H2,1-3H3InChIKey
DGYBUOJWGOFQER-UHFFFAOYSA-NSynonyms
384801-64-3384801643
CCCCCOC(=O)CSC1=NC2=C(C3=C(S2)COC(C3)C(C)C)C(=O)N1CC4=CC=CC=C4
InChI=1SC26H32N2O4S2c1459123122(29)163326272423(191320(17(2)3)321521(19)3424)25(30)28(26)1418107681118h6810111720H4591216H213H3
MFCD03284494
pentyl((3benzyl4oxo6(propan2yl)3568tetrahydro4Hpyrano(4345)thieno(23d)pyrimidin2yl)sulfanyl)acetate
pentyl2((3benzyl4oxo6propan2yl68dihydro5Hpyrano(23)thieno(24b)pyrimidin2yl)sulfanyl)acetate
pentyl2((3benzyl6isopropyl4oxo4568tetrahydro3Hpyrano(4345)thieno(23d)pyrimidin2yl)thio)acetate
ZINC000001836010
ZINC000001836011
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