Vitas-M small molecule compound
1-(butylsulfanyl)-4-(2-methylphenyl)-7,8-dihydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK532244
SMILES CCCCSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1C)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 C21H22N4OS2 MW 410.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4OS2/c1-3-4-12-27-21-23-22-20-24(15-10-6-5-8-13(15)2)18(26)17-14-9-7-11-16(14)28-19(17)25(20)21/h5-6,8,10H,3-4,7,9,11-12H2,1-2H3InChIKey
WRQHKAFUZZGLOL-UHFFFAOYSA-NSynonyms
1(butylsulfanyl)4(2methylphenyl)78dihydro6Hcyclopenta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1(butylthio)4(otolyl)78dihydro4Hcyclopenta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(6H)one
CCCCSC1=NN=C2N1C3=C(C4=C(S3)CCC4)C(=O)N2C5=CC=CC=C5C
InChI=1SC21H22N4OS2c13412272123222024(151065813(15)2)18(26)1714971116(14)2819(17)25(20)21h56810H34791112H212H3
MFCD02991231
ZINC000002273945
ZINC02273945
ZINC2273945
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