Vitas-M small molecule compound
3-[4-(pyridin-4-ylmethyl)phenyl]-2-sulfanyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STK448132
SMILES Sc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cc1ccncc1)CCC3
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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 C21H17N3OS2 MW 391.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3OS2/c25-20-18-16-2-1-3-17(16)27-19(18)23-21(26)24(20)15-6-4-13(5-7-15)12-14-8-10-22-11-9-14/h4-11H,1-3,12H2,(H,23,26)InChIKey
BBVQGWPAUIHFBO-UHFFFAOYSA-NSynonyms
2(4(pyridin4ylmethyl)phenyl)3sulfanylidene4678tetrahydrocyclopenta(23)thieno(24b)pyrimidin1one
3(4(pyridin4ylmethyl)phenyl)2sulfanyl3567tetrahydro4Hcyclopenta(45)thieno(23d)pyrimidin4one
C1CC2=C(C1)SC3=C2C(=O)N(C(=S)N3)C4=CC=C(C=C4)CC5=CC=NC=C5
InChI=1SC21H17N3OS2c2520181621317(16)2719(18)2321(26)24(20)156413(5715)12148102211914h411H1312H2(H2326)
MFCD04138159
ZINC000006276567
ZINC06276567
ZINC6276567
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