Vitas-M small molecule compound
1-(ethylsulfanyl)-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
STK525454
SMILES CCSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)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/c1-2-26-20-22-21-19-23(13-9-5-3-6-10-13)17(25)16-14-11-7-4-8-12-15(14)27-18(16)24(19)20/h3,5-6,9-10H,2,4,7-8,11-12H2,1H3InChIKey
PGXMLERLWCMHHD-UHFFFAOYSA-NSynonyms
372174-55-51(ethylsulfanyl)4phenyl78910tetrahydro6Hcyclohepta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1(ethylthio)4phenyl78910tetrahydro4Hcyclohepta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(6H)one
372174555
CCSC1=NN=C2N1C3=C(C4=C(S3)CCCCC4)C(=O)N2C5=CC=CC=C5
InChI=1SC20H20N4OS2c12262022211923(1395361013)17(25)1614117481215(14)2718(16)24(19)20h356910H24781112H21H3
MFCD01879659
ZINC000002275197
ZINC02275197
ZINC2275197
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