Vitas-M small molecule compound

2-(heptylsulfanyl)-3-(3-methylphenyl)-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one

Catalog ID
STK539367
SMILES CCCCCCCSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)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 C26H34N2O2S2 MW 470.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H34N2O2S2/c1-5-6-7-8-9-13-31-26-27-24-23(20-15-21(17(2)3)30-16-22(20)32-24)25(29)28(26)19-12-10-11-18(4)14-19/h10-12,14,17,21H,5-9,13,15-16H2,1-4H3
InChIKey
IQZSPPWZUQKXDQ-UHFFFAOYSA-N
Synonyms
384374-50-9
2(heptylsulfanyl)3(3methylphenyl)6(propan2yl)3568tetrahydro4Hpyrano(4345)thieno(23d)pyrimidin4one
2(heptylthio)6isopropyl3(mtolyl)56dihydro3Hpyrano(4345)thieno(23d)pyrimidin4(8H)one
2heptylsulfanyl3(3methylphenyl)6propan2yl68dihydro5Hpyrano(23)thieno(24b)pyrimidin4one
384374509
CCCCCCCSC1=NC2=C(C3=C(S2)COC(C3)C(C)C)C(=O)N1C4=CC=CC(=C4)C
InChI=1SC26H34N2O2S2c156789133126272423(201521(17(2)3)301622(20)3224)25(29)28(26)1912101118(4)1419h1012141721H59131516H214H3
MFCD03284962
ZINC000001786530
ZINC000001786532

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Available files

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