Vitas-M small molecule compound

4-(4-methoxyphenyl)-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
STK531098
SMILES COc1ccc(cc1)n1c2nnc(n2c2c(c1=O)c1CCCc1s2)SCC(=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 C21H20N4O2S2 MW 424.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O2S2/c1-12(2)11-28-21-23-22-20-24(13-7-9-14(27-3)10-8-13)18(26)17-15-5-4-6-16(15)29-19(17)25(20)21/h7-10H,1,4-6,11H2,2-3H3
InChIKey
RFCMSCCUIARGGG-UHFFFAOYSA-N
Synonyms

4(4methoxyphenyl)1((2methylallyl)thio)78dihydro4Hcyclopenta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(6H)one
4(4methoxyphenyl)1((2methylprop2en1yl)sulfanyl)78dihydro6Hcyclopenta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CC(=C)CSC1=NN=C2N1C3=C(C4=C(S3)CCC4)C(=O)N2C5=CC=C(C=C5)OC
InChI=1SC21H20N4O2S2c112(2)11282123222024(137914(273)10813)18(26)171554616(15)2919(17)25(20)21h710H14611H223H3
MFCD02242364
ZINC000002299642
ZINC02299642
ZINC2299642

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Available files

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