Vitas-M small molecule compound

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

Catalog ID
STK831041
SMILES CCCCCSc1nc2sc3c(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 C22H26N2OS2 MW 398.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2OS2/c1-2-3-10-15-26-22-23-20-19(17-13-8-5-9-14-18(17)27-20)21(25)24(22)16-11-6-4-7-12-16/h4,6-7,11-12H,2-3,5,8-10,13-15H2,1H3
InChIKey
RYSVPJVRDSXVEZ-UHFFFAOYSA-N
Synonyms
351161-09-6
2(pentylsulfanyl)3phenyl356789hexahydro4Hcyclohepta(45)thieno(23d)pyrimidin4one
2(pentylthio)3phenyl6789tetrahydro3Hcyclohepta(45)thieno(23d)pyrimidin4(5H)one
2pentylsulfanyl3phenyl6789tetrahydro5Hcyclohepta(23)thieno(24b)pyrimidin4one
351161096
CCCCCSC1=NC2=C(C3=C(S2)CCCCC3)C(=O)N1C4=CC=CC=C4
InChI=1SC22H26N2OS2c12310152622232019(17138591418(17)2720)21(25)24(22)16116471216h4671112H2358101315H21H3
MFCD01875114
ZINC000002270766
ZINC02270766
ZINC2270766

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Available files

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