Vitas-M small molecule compound
1-(benzylsulfanyl)-4-phenyl-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
STK722380
SMILES O=c1c2c3CCCCCc3sc2n2c(n1c1ccccc1)nnc2SCc1ccccc1
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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 C25H22N4OS2 MW 458.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4OS2/c30-22-21-19-14-8-3-9-15-20(19)32-23(21)29-24(28(22)18-12-6-2-7-13-18)26-27-25(29)31-16-17-10-4-1-5-11-17/h1-2,4-7,10-13H,3,8-9,14-16H2InChIKey
VHVVRNKPYDEACQ-UHFFFAOYSA-NSynonyms
351161-75-61(benzylsulfanyl)4phenyl78910tetrahydro6Hcyclohepta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1(benzylthio)4phenyl78910tetrahydro4Hcyclohepta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(6H)one
351161756
C1CCC2=C(CC1)SC3=C2C(=O)N(C4=NN=C(N34)SCC5=CC=CC=C5)C6=CC=CC=C6
InChI=1SC25H22N4OS2c30222119148391520(19)3223(21)2924(28(22)18126271318)262725(29)311617104151117h12471013H3891416H2
MFCD01878306
ZINC000002274365
ZINC02274365
ZINC2274365
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