Vitas-M small molecule compound
2-{8-[(4-chlorobenzyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}-N-(2,4-dimethylphenyl)acetamide
Catalog ID
STL105670
SMILES Clc1ccc(cc1)CSc1nccn2c1nn(c2=O)CC(=O)Nc1ccc(cc1C)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 C22H20ClN5O2S MW 453.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClN5O2S/c1-14-3-8-18(15(2)11-14)25-19(29)12-28-22(30)27-10-9-24-21(20(27)26-28)31-13-16-4-6-17(23)7-5-16/h3-11H,12-13H2,1-2H3,(H,25,29)InChIKey
SMDSAHGNDQCILV-UHFFFAOYSA-NSynonyms
1251693-59-01251693590
2(8((4chlorobenzyl)sulfanyl)3oxo(124)triazolo(43a)pyrazin2(3H)yl)N(24dimethylphenyl)acetamide
2(8((4CHLOROBENZYL)THIO)3OXO(124)TRIAZOLO(43A)PYRAZIN2(3H)YL)N(24DIMETHYLPHENYL)ACETAMIDE
2(8((4chlorophenyl)methylsulfanyl)3oxo(124)triazolo(43a)pyrazin2yl)N(24dimethylphenyl)acetamide
CC1=CC(=C(C=C1)NC(=O)CN2C(=O)N3C=CN=C(C3=N2)SCC4=CC=C(C=C4)Cl)C
InChI=1SC22H20ClN5O2Sc1143818(15(2)1114)2519(29)122822(30)271092421(20(27)2628)3113164617(23)7516h311H1213H212H3(H2529)
MFCD20736861
ZINC000049008856
ZINC49008856
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