Vitas-M small molecule compound
4-(4-methoxyphenyl)-1-[(2-methylprop-2-en-1-yl)sulfanyl]-7,8,9,10-tetrahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK525663
SMILES COc1ccc(cc1)n1c(=O)c2c3CCCCCc3sc2n2c1nnc2SCC(=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 C23H24N4O2S2 MW 452.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N4O2S2/c1-14(2)13-30-23-25-24-22-26(15-9-11-16(29-3)12-10-15)20(28)19-17-7-5-4-6-8-18(17)31-21(19)27(22)23/h9-12H,1,4-8,13H2,2-3H3InChIKey
XLOPXJBHDSZUCM-UHFFFAOYSA-NSynonyms
374544-33-9374544339
4(4methoxyphenyl)1((2methylallyl)thio)78910tetrahydro4Hcyclohepta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(6H)one
4(4methoxyphenyl)1((2methylprop2en1yl)sulfanyl)78910tetrahydro6Hcyclohepta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CC(=C)CSC1=NN=C2N1C3=C(C4=C(S3)CCCCC4)C(=O)N2C5=CC=C(C=C5)OC
InChI=1SC23H24N4O2S2c114(2)13302325242226(1591116(293)121015)20(28)19177546818(17)3121(19)27(22)23h912H14813H223H3
MFCD01956720
ZINC000013775091
ZINC13775091
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