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-methoxybenzyl)acetamide
Catalog ID
STL105686
SMILES COc1cccc(c1)CNC(=O)Cn1nc2n(c1=O)ccnc2SCc1ccc(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 C22H20ClN5O3S MW 469.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClN5O3S/c1-31-18-4-2-3-16(11-18)12-25-19(29)13-28-22(30)27-10-9-24-21(20(27)26-28)32-14-15-5-7-17(23)8-6-15/h2-11H,12-14H2,1H3,(H,25,29)InChIKey
FPXZOVWKNZSOCP-UHFFFAOYSA-NSynonyms
2(8((4chlorobenzyl)sulfanyl)3oxo(124)triazolo(43a)pyrazin2(3H)yl)N(3methoxybenzyl)acetamide
2(8((4chlorophenyl)methylsulfanyl)3oxo(124)triazolo(43a)pyrazin2yl)N((3methoxyphenyl)methyl)acetamide
COC1=CC=CC(=C1)CNC(=O)CN2C(=O)N3C=CN=C(C3=N2)SCC4=CC=C(C=C4)Cl
InChI=1SC22H20ClN5O3Sc1311842316(1118)122519(29)132822(30)271092421(20(27)2628)3214155717(23)8615h211H1214H21H3(H2529)
MFCD20736877
ZINC000067255418
ZINC67255418
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