Vitas-M small molecule compound

3-benzyl-2-(butylsulfanyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one

Catalog ID
STK080757
SMILES CCCCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC(OC3)(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 C22H26N2O2S2 MW 414.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2O2S2/c1-4-5-11-27-21-23-19-18(16-12-22(2,3)26-14-17(16)28-19)20(25)24(21)13-15-9-7-6-8-10-15/h6-10H,4-5,11-14H2,1-3H3
InChIKey
FKDHJTDJBUDCQD-UHFFFAOYSA-N
Synonyms
369607-30-7
369607307
3benzyl2(butylsulfanyl)66dimethyl3568tetrahydro4Hpyrano(4345)thieno(23d)pyrimidin4one
3benzyl2(butylthio)66dimethyl56dihydro3Hpyrano(4345)thieno(23d)pyrimidin4(8H)one
3benzyl2butylsulfanyl66dimethyl58dihydropyrano(23)thieno(24b)pyrimidin4one
CCCCSC1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=O)N1CC4=CC=CC=C4
CCCCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC(OC3)(C)C
InChI=1SC22H26N2O2S2c145112721231918(161222(23)261417(16)2819)20(25)24(21)131597681015h610H451114H213H3
MFCD01557120
STK080757
ZINC000002318450
ZINC02318450
ZINC2318450

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Available files

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