Vitas-M small molecule compound
2-{8-[(4-chlorobenzyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}-N-(3,5-dichlorophenyl)acetamide
Catalog ID
STL105699
SMILES Clc1ccc(cc1)CSc1nccn2c1nn(c2=O)CC(=O)Nc1cc(Cl)cc(c1)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 C20H14Cl3N5O2S MW 494.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14Cl3N5O2S/c21-13-3-1-12(2-4-13)11-31-19-18-26-28(20(30)27(18)6-5-24-19)10-17(29)25-16-8-14(22)7-15(23)9-16/h1-9H,10-11H2,(H,25,29)InChIKey
WVBJDVTZLBEAGR-UHFFFAOYSA-NSynonyms
2(8((4chlorobenzyl)sulfanyl)3oxo(124)triazolo(43a)pyrazin2(3H)yl)N(35dichlorophenyl)acetamide
2(8((4chlorophenyl)methylsulfanyl)3oxo(124)triazolo(43a)pyrazin2yl)N(35dichlorophenyl)acetamide
C1=CC(=CC=C1CSC2=NC=CN3C2=NN(C3=O)CC(=O)NC4=CC(=CC(=C4)Cl)Cl)Cl
InChI=1SC20H14Cl3N5O2Sc21133112(2413)113119182628(20(30)27(18)652419)1017(29)2516814(22)715(23)916h19H1011H2(H2529)
MFCD20736890
ZINC000067255482
ZINC67255482
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