Vitas-M small molecule compound
1-(benzylsulfanyl)-4-(4-chlorophenyl)-7-methyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK556098
SMILES CC1CCc2c(C1)c1c(s2)n2c(SCc3ccccc3)nnc2n(c1=O)c1ccc(cc1)Cl
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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 C25H21ClN4OS2 MW 493.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClN4OS2/c1-15-7-12-20-19(13-15)21-22(31)29(18-10-8-17(26)9-11-18)24-27-28-25(30(24)23(21)33-20)32-14-16-5-3-2-4-6-16/h2-6,8-11,15H,7,12-14H2,1H3InChIKey
HPWHCDCQAGDLSK-UHFFFAOYSA-NSynonyms
843626-77-71(benzylsulfanyl)4(4chlorophenyl)7methyl6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1(benzylthio)4(4chlorophenyl)7methyl6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
843626777
CC1CCC2=C(C1)C3=C(S2)N4C(=NN=C4SCC5=CC=CC=C5)N(C3=O)C6=CC=C(C=C6)Cl
InChI=1SC25H21ClN4OS2c1157122019(1315)2122(31)29(1810817(26)91118)24272825(30(24)23(21)3320)3214165324616h2681115H71214H21H3
MFCD04015694
ZINC000002438577
ZINC000002438579
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