Vitas-M small molecule compound
2-[3-(phenoxymethyl)-4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one (non-preferred name)
Catalog ID
STK735532
SMILES O=C1CC(C2OC1OC2)n1nc(n(c1=S)c1ccccc1)COc1ccccc1
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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 C21H19N3O4S MW 409.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O4S/c25-17-11-16(18-12-27-20(17)28-18)24-21(29)23(14-7-3-1-4-8-14)19(22-24)13-26-15-9-5-2-6-10-15/h1-10,16,18,20H,11-13H2InChIKey
FBIOLMDPKYLULT-UHFFFAOYSA-NSynonyms
2(3(PHENOXYMETHYL)4PHENYL5SULFANYLIDENE124TRIAZOL1YL)68DIOXABICYCLO(321)OCTAN4ONE
2(3(phenoxymethyl)4phenyl5thioxo45dihydro1H124triazol1yl)68dioxabicyclo(321)octan4one(nonpreferredname)
C1C(C2COC(C1=O)O2)N3C(=S)N(C(=N3)COC4=CC=CC=C4)C5=CC=CC=C5
InChI=1SC21H19N3O4Sc25171116(18122720(17)2818)2421(29)23(147314814)19(2224)13261595261015h110161820H1113H2
MFCD01461462
ZINC000102989414
ZINC000102989416
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