Vitas-M small molecule compound
4-(2-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
STK532299
SMILES COc1ccccc1n1c(=O)c2c3CCCc3sc2n2c1nnc2SCC(=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(14-8-4-5-9-15(14)27-3)18(26)17-13-7-6-10-16(13)29-19(17)25(20)21/h4-5,8-9H,1,6-7,10-11H2,2-3H3InChIKey
QUPWQSQVHQJJDI-UHFFFAOYSA-NSynonyms
4(2methoxyphenyl)1((2methylallyl)thio)78dihydro4Hcyclopenta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(6H)one
4(2methoxyphenyl)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=CC=C5OC
InChI=1SC21H20N4O2S2c112(2)11282123222024(14845915(14)273)18(26)1713761016(13)2919(17)25(20)21h4589H1671011H223H3
MFCD02238418
ZINC000001306553
ZINC01306553
ZINC1306553
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