Vitas-M small molecule compound

2-(butylsulfanyl)-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one

Catalog ID
STK829935
SMILES CCCCSc1nc2sc3c(c2c(=O)n1c1ccccc1)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 C21H24N2OS2 MW 384.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2OS2/c1-2-3-14-25-21-22-19-18(16-12-8-5-9-13-17(16)26-19)20(24)23(21)15-10-6-4-7-11-15/h4,6-7,10-11H,2-3,5,8-9,12-14H2,1H3
InChIKey
ADIXXNQBJMUMKZ-UHFFFAOYSA-N
Synonyms
351161-11-0
2(butylsulfanyl)3phenyl356789hexahydro4Hcyclohepta(45)thieno(23d)pyrimidin4one
2(butylthio)3phenyl6789tetrahydro3Hcyclohepta(45)thieno(23d)pyrimidin4(5H)one
2butylsulfanyl3phenyl6789tetrahydro5Hcyclohepta(23)thieno(24b)pyrimidin4one
351161110
CCCCSC1=NC2=C(C3=C(S2)CCCCC3)C(=O)N1C4=CC=CC=C4
InChI=1SC21H24N2OS2c123142521221918(16128591317(16)2619)20(24)23(21)15106471115h4671011H235891214H21H3
MFCD01880264
ZINC000002275659
ZINC02275659
ZINC2275659

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Available files

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