Vitas-M small molecule compound
1-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-4-phenyl-7,8-dihydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK530989
SMILES O=c1c2c3CCCc3sc2n2c(n1c1ccccc1)nnc2SCc1ccc2c(c1)OCO2
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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 C24H18N4O3S2 MW 474.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18N4O3S2/c29-21-20-16-7-4-8-19(16)33-22(20)28-23(27(21)15-5-2-1-3-6-15)25-26-24(28)32-12-14-9-10-17-18(11-14)31-13-30-17/h1-3,5-6,9-11H,4,7-8,12-13H2InChIKey
XVJPXFFXFHHZIC-UHFFFAOYSA-NSynonyms
1((13benzodioxol5ylmethyl)sulfanyl)4phenyl78dihydro6Hcyclopenta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1((benzo(d)(13)dioxol5ylmethyl)thio)4phenyl78dihydro4Hcyclopenta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(6H)one
C1CC2=C(C1)SC3=C2C(=O)N(C4=NN=C(N34)SCC5=CC6=C(C=C5)OCO6)C7=CC=CC=C7
InChI=1SC24H18N4O3S2c2921201674819(16)3322(20)2823(27(21)155213615)252624(28)3212149101718(1114)31133017h1356911H4781213H2
MFCD02241389
ZINC000002298925
ZINC02298925
ZINC2298925
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