Vitas-M small molecule compound
1-(butylsulfanyl)-4-(4-methoxyphenyl)-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
STK524388
SMILES CCCCSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)OC)CCCCC3
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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 C23H26N4O2S2 MW 454.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N4O2S2/c1-3-4-14-30-23-25-24-22-26(15-10-12-16(29-2)13-11-15)20(28)19-17-8-6-5-7-9-18(17)31-21(19)27(22)23/h10-13H,3-9,14H2,1-2H3InChIKey
ZWARMBICGIXDOC-UHFFFAOYSA-NSynonyms
372497-29-51(butylsulfanyl)4(4methoxyphenyl)78910tetrahydro6Hcyclohepta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1(butylthio)4(4methoxyphenyl)78910tetrahydro4Hcyclohepta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(6H)one
372497295
CCCCSC1=NN=C2N1C3=C(C4=C(S3)CCCCC4)C(=O)N2C5=CC=C(C=C5)OC
InChI=1SC23H26N4O2S2c13414302325242226(15101216(292)131115)20(28)19178657918(17)3121(19)27(22)23h1013H3914H212H3
MFCD01943569
ZINC000002277263
ZINC02277263
ZINC2277263
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