Vitas-M small molecule compound
2-{8-[(4-chlorobenzyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}-N-(2,3-dimethoxybenzyl)acetamide
Catalog ID
STL105689
SMILES COc1cccc(c1OC)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 C23H22ClN5O4S MW 499.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22ClN5O4S/c1-32-18-5-3-4-16(20(18)33-2)12-26-19(30)13-29-23(31)28-11-10-25-22(21(28)27-29)34-14-15-6-8-17(24)9-7-15/h3-11H,12-14H2,1-2H3,(H,26,30)InChIKey
ZGXPIMJEAVBELA-UHFFFAOYSA-NSynonyms
2(8((4chlorobenzyl)sulfanyl)3oxo(124)triazolo(43a)pyrazin2(3H)yl)N(23dimethoxybenzyl)acetamide
2(8((4chlorophenyl)methylsulfanyl)3oxo(124)triazolo(43a)pyrazin2yl)N((23dimethoxyphenyl)methyl)acetamide
COC1=CC=CC(=C1OC)CNC(=O)CN2C(=O)N3C=CN=C(C3=N2)SCC4=CC=C(C=C4)Cl
InChI=1SC23H22ClN5O4Sc1321853416(20(18)332)122619(30)132923(31)2811102522(21(28)2729)3414156817(24)9715h311H1214H212H3(H2630)
MFCD20736880
ZINC000067255426
ZINC67255426
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