Vitas-M small molecule compound

5-(benzylsulfanyl)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine

Catalog ID
STK720323
SMILES c1ccc(cc1)CSc1nc2sc3c(c2c2n1cnn2)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 C17H14N4S2 MW 338.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N4S2/c1-2-5-11(6-3-1)9-22-17-19-16-14(15-20-18-10-21(15)17)12-7-4-8-13(12)23-16/h1-3,5-6,10H,4,7-9H2
InChIKey
VMVYODJUSYWPAH-UHFFFAOYSA-N
Synonyms
586990-67-2
5(benzylsulfanyl)910dihydro8Hcyclopenta(45)thieno(32e)(124)triazolo(43c)pyrimidine
5(benzylthio)910dihydro8Hcyclopenta(45)thieno(32e)(124)triazolo(43c)pyrimidine
586990672
C1CC2=C(C1)SC3=C2C4=NN=CN4C(=N3)SCC5=CC=CC=C5
InChI=1SC17H14N4S2c12511(631)92217191614(1520181021(15)17)1274813(12)2316h135610H479H2
MFCD04031166
ZINC000000532746
ZINC00532746
ZINC532746

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.