Vitas-M small molecule compound
4-(4-methylphenyl)-1-[(2-methylprop-2-en-1-yl)sulfanyl]-7,8-dihydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK526550
SMILES CC(=C)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)C)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 C21H20N4OS2 MW 408.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4OS2/c1-12(2)11-27-21-23-22-20-24(14-9-7-13(3)8-10-14)18(26)17-15-5-4-6-16(15)28-19(17)25(20)21/h7-10H,1,4-6,11H2,2-3H3InChIKey
KTCUWIHIXDQGJR-UHFFFAOYSA-NSynonyms
374103-72-71((2methylallyl)thio)4(ptolyl)78dihydro4Hcyclopenta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(6H)one
374103727
4(4methylphenyl)1((2methylprop2en1yl)sulfanyl)78dihydro6Hcyclopenta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NN=C4SCC(=C)C)SC5=C3CCC5
InChI=1SC21H20N4OS2c112(2)11272123222024(149713(3)81014)18(26)171554616(15)2819(17)25(20)21h710H14611H223H3
MFCD01952529
ZINC000002285500
ZINC02285500
ZINC2285500
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