Vitas-M small molecule compound
4-(4-methylphenyl)-1-(methylsulfanyl)-7,8,9,10-tetrahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK524925
SMILES CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)C)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 C20H20N4OS2 MW 396.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4OS2/c1-12-8-10-13(11-9-12)23-17(25)16-14-6-4-3-5-7-15(14)27-18(16)24-19(23)21-22-20(24)26-2/h8-11H,3-7H2,1-2H3InChIKey
STVSNXNIHDBXFW-UHFFFAOYSA-NSynonyms
372506-85-91(methylthio)4(ptolyl)78910tetrahydro4Hcyclohepta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(6H)one
372506859
4(4methylphenyl)1(methylsulfanyl)78910tetrahydro6Hcyclohepta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NN=C4SC)SC5=C3CCCCC5
InChI=1SC20H20N4OS2c11281013(11912)2317(25)16146435715(14)2718(16)2419(23)212220(24)262h811H37H212H3
MFCD01945130
ZINC000002278300
ZINC02278300
ZINC2278300
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