Vitas-M small molecule compound
N-(4-acetylphenyl)-2-{8-[(4-chlorobenzyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
Catalog ID
STL105688
SMILES O=C(Cn1nc2n(c1=O)ccnc2SCc1ccc(cc1)Cl)Nc1ccc(cc1)C(=O)C
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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 C22H18ClN5O3S MW 467.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18ClN5O3S/c1-14(29)16-4-8-18(9-5-16)25-19(30)12-28-22(31)27-11-10-24-21(20(27)26-28)32-13-15-2-6-17(23)7-3-15/h2-11H,12-13H2,1H3,(H,25,30)InChIKey
BMEDLASMVOGUBO-UHFFFAOYSA-NSynonyms
CC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)N3C=CN=C(C3=N2)SCC4=CC=C(C=C4)Cl
InChI=1SC22H18ClN5O3Sc114(29)164818(9516)2519(30)122822(31)2711102421(20(27)2628)3213152617(23)7315h211H1213H21H3(H2530)
MFCD20736879
N(4acetylphenyl)2(8((4chlorobenzyl)sulfanyl)3oxo(124)triazolo(43a)pyrazin2(3H)yl)acetamide
N(4acetylphenyl)2(8((4chlorophenyl)methylsulfanyl)3oxo(124)triazolo(43a)pyrazin2yl)acetamide
ZINC000065150986
ZINC65150986
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