Vitas-M small molecule compound
4-(2-methoxyphenyl)-1-(propan-2-ylsulfanyl)-7,8-dihydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK531565
SMILES COc1ccccc1n1c2nnc(n2c2c(c1=O)c1CCCc1s2)SC(C)C
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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 C20H20N4O2S2 MW 412.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O2S2/c1-11(2)27-20-22-21-19-23(13-8-4-5-9-14(13)26-3)17(25)16-12-7-6-10-15(12)28-18(16)24(19)20/h4-5,8-9,11H,6-7,10H2,1-3H3InChIKey
GZHUMHLOZUABAK-UHFFFAOYSA-NSynonyms
1(isopropylthio)4(2methoxyphenyl)78dihydro4Hcyclopenta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(6H)one
4(2methoxyphenyl)1(propan2ylsulfanyl)78dihydro6Hcyclopenta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CC(C)SC1=NN=C2N1C3=C(C4=C(S3)CCC4)C(=O)N2C5=CC=CC=C5OC
InChI=1SC20H20N4O2S2c111(2)272022211923(13845914(13)263)17(25)1612761015(12)2818(16)24(19)20h458911H6710H213H3
MFCD02233832
ZINC000002292165
ZINC02292165
ZINC2292165
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