Vitas-M small molecule compound
5-[(3,4-dimethylphenoxy)methyl]-3-(2-oxo-2-phenylethyl)-1,3,4-thiadiazol-2(3H)-iminium
Catalog ID
STK085898
SMILES O=C(c1ccccc1)Cn1nc(sc1=[NH2+])COc1ccc(c(c1)C)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 C19H20N3O2S MW 354.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N3O2S/c1-13-8-9-16(10-14(13)2)24-12-18-21-22(19(20)25-18)11-17(23)15-6-4-3-5-7-15/h3-10,20H,11-12H2,1-2H3/p+1InChIKey
JPINWYYEDRUCEB-UHFFFAOYSA-OSynonyms
2(2AMINO5((34DIMETHYLPHENOXY)METHYL)134THIADIAZOL3IUM3YL)1PHENYLETHANONE
5((34DIMETHYLPHENOXY)METHYL)3(2OXO2PHENYLETHYL)134THIADIAZOL2(3H)IMINIUM
CC1=C(C=C(C=C1)OCC2=N(N+)(=C(S2)N)CC(=O)C3=CC=CC=C3)C
InChI=1SC19H19N3O2Sc1138916(1014(13)2)2412182122(19(20)2518)1117(23)156435715h31020H1112H212H3p+1
O=C(c1ccccc1)Cn1nc(sc1=(NH2+))COc1ccc(c(c1)C)C
STK085898
ZINC000004672838
ZINC33736281
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