Vitas-M small molecule compound
8-[(4-chlorobenzyl)sulfanyl]-2-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl][1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Catalog ID
STL105684
SMILES Clc1ccc(cc1)CSc1nccn2c1nn(c2=O)CC(=O)N1CCOc2c1cc(C)cc2
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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 C23H20ClN5O3S MW 481.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20ClN5O3S/c1-15-2-7-19-18(12-15)27(10-11-32-19)20(30)13-29-23(31)28-9-8-25-22(21(28)26-29)33-14-16-3-5-17(24)6-4-16/h2-9,12H,10-11,13-14H2,1H3InChIKey
MGZNSPGFOGTHAQ-UHFFFAOYSA-NSynonyms
8((4chlorobenzyl)sulfanyl)2(2(6methyl23dihydro4H14benzoxazin4yl)2oxoethyl)(124)triazolo(43a)pyrazin3(2H)one
8((4chlorophenyl)methylsulfanyl)2(2(6methyl23dihydro14benzoxazin4yl)2oxoethyl)(124)triazolo(43a)pyrazin3one
CC1=CC2=C(C=C1)OCCN2C(=O)CN3C(=O)N4C=CN=C(C4=N3)SCC5=CC=C(C=C5)Cl
InChI=1SC23H20ClN5O3Sc115271918(1215)27(10113219)20(30)132923(31)28982522(21(28)2629)3314163517(24)6416h2912H10111314H21H3
MFCD20736875
ZINC000067255411
ZINC67255411
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