Vitas-M small molecule compound
4-(4-methoxyphenyl)-1-(prop-2-en-1-ylsulfanyl)-7,8-dihydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK526767
SMILES C=CCSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)OC)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 C20H18N4O2S2 MW 410.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O2S2/c1-3-11-27-20-22-21-19-23(12-7-9-13(26-2)10-8-12)17(25)16-14-5-4-6-15(14)28-18(16)24(19)20/h3,7-10H,1,4-6,11H2,2H3InChIKey
CEEHUVYMLSIWIZ-UHFFFAOYSA-NSynonyms
374083-04-21(allylthio)4(4methoxyphenyl)78dihydro4Hcyclopenta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(6H)one
374083042
4(4methoxyphenyl)1(prop2en1ylsulfanyl)78dihydro6Hcyclopenta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
COC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NN=C4SCC=C)SC5=C3CCC5
InChI=1SC20H18N4O2S2c1311272022211923(127913(262)10812)17(25)161454615(14)2818(16)24(19)20h3710H14611H22H3
MFCD01949660
ZINC000002282245
ZINC02282245
ZINC2282245
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