Vitas-M small molecule compound
4-(4-methylphenyl)-1-(prop-2-en-1-ylsulfanyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK830832
SMILES C=CCSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)C)CCCC3
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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 C21H20N4OS2 MW 408.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4OS2/c1-3-12-27-21-23-22-20-24(14-10-8-13(2)9-11-14)18(26)17-15-6-4-5-7-16(15)28-19(17)25(20)21/h3,8-11H,1,4-7,12H2,2H3InChIKey
JIYLHPXHGAMGSQ-UHFFFAOYSA-NSynonyms
332393-39-21(allylthio)4(ptolyl)6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
332393392
4(4methylphenyl)1(prop2en1ylsulfanyl)6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NN=C4SCC=C)SC5=C3CCCC5
InChI=1SC21H20N4OS2c1312272123222024(1410813(2)91114)18(26)1715645716(15)2819(17)25(20)21h3811H14712H22H3
MFCD01877225
ZINC000001836466
ZINC01836466
ZINC1836466
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