Vitas-M small molecule compound
2-{8-[(4-chlorobenzyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}-N-(5-chloro-2-methylphenyl)acetamide
Catalog ID
STL105669
SMILES Clc1ccc(cc1)CSc1nccn2c1nn(c2=O)CC(=O)Nc1cc(Cl)ccc1C
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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 C21H17Cl2N5O2S MW 474.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17Cl2N5O2S/c1-13-2-5-16(23)10-17(13)25-18(29)11-28-21(30)27-9-8-24-20(19(27)26-28)31-12-14-3-6-15(22)7-4-14/h2-10H,11-12H2,1H3,(H,25,29)InChIKey
LJMMOVWQBHIMNJ-UHFFFAOYSA-NSynonyms
2(8((4chlorobenzyl)sulfanyl)3oxo(124)triazolo(43a)pyrazin2(3H)yl)N(5chloro2methylphenyl)acetamide
CC1=C(C=C(C=C1)Cl)NC(=O)CN2C(=O)N3C=CN=C(C3=N2)SCC4=CC=C(C=C4)Cl
InChI=1SC21H17Cl2N5O2Sc1132516(23)1017(13)2518(29)112821(30)27982420(19(27)2628)3112143615(22)7414h210H1112H21H3(H2529)
MFCD20736860
N(5chloro2methylphenyl)2(8((4chlorophenyl)methylsulfanyl)3oxo(124)triazolo(43a)pyrazin2yl)acetamide
ZINC000067255371
ZINC67255371
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