Vitas-M small molecule compound
4-(4-methoxyphenyl)-1-(prop-2-en-1-ylsulfanyl)-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
STK525573
SMILES C=CCSc1nnc2n1c1sc3c(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 C22H22N4O2S2 MW 438.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O2S2/c1-3-13-29-22-24-23-21-25(14-9-11-15(28-2)12-10-14)19(27)18-16-7-5-4-6-8-17(16)30-20(18)26(21)22/h3,9-12H,1,4-8,13H2,2H3InChIKey
QSWYQIKLDZVYGI-UHFFFAOYSA-NSynonyms
373371-62-11(allylthio)4(4methoxyphenyl)78910tetrahydro4Hcyclohepta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(6H)one
373371621
4(4methoxyphenyl)1(prop2en1ylsulfanyl)78910tetrahydro6Hcyclohepta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
COC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NN=C4SCC=C)SC5=C3CCCCC5
InChI=1SC22H22N4O2S2c1313292224232125(1491115(282)121014)19(27)18167546817(16)3020(18)26(21)22h3912H14813H22H3
MFCD01946835
ZINC000002280158
ZINC02280158
ZINC2280158
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