Vitas-M small molecule compound
1-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-4-(2-methoxyphenyl)-7,8-dihydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK532607
SMILES COc1ccccc1n1c(=O)c2c3CCCc3sc2n2c1nnc2SCc1ccc2c(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 C25H20N4O4S2 MW 504.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N4O4S2/c1-31-17-7-3-2-6-16(17)28-22(30)21-15-5-4-8-20(15)35-23(21)29-24(28)26-27-25(29)34-12-14-9-10-18-19(11-14)33-13-32-18/h2-3,6-7,9-11H,4-5,8,12-13H2,1H3InChIKey
PKNHLEVGJNEAEU-UHFFFAOYSA-NSynonyms
1((13benzodioxol5ylmethyl)sulfanyl)4(2methoxyphenyl)78dihydro6Hcyclopenta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1((benzo(d)(13)dioxol5ylmethyl)thio)4(2methoxyphenyl)78dihydro4Hcyclopenta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(6H)one
COC1=CC=CC=C1N2C(=O)C3=C(N4C2=NN=C4SCC5=CC6=C(C=C5)OCO6)SC7=C3CCC7
InChI=1SC25H20N4O4S2c13117732616(17)2822(30)211554820(15)3523(21)2924(28)262725(29)3412149101819(1114)33133218h2367911H4581213H21H3
MFCD02241292
ZINC000001236866
ZINC01236866
ZINC1236866
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