Vitas-M small molecule compound
5-[(3,4-dimethylphenoxy)methyl]-3-[2-oxo-2-(thiophen-2-yl)ethyl]-1,3,4-thiadiazol-2(3H)-iminium
Catalog ID
STK026700
SMILES O=C(c1cccs1)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 C17H18N3O2S2 MW 360.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N3O2S2/c1-11-5-6-13(8-12(11)2)22-10-16-19-20(17(18)24-16)9-14(21)15-4-3-7-23-15/h3-8,18H,9-10H2,1-2H3/p+1InChIKey
JEZFHYYCLHPNRL-UHFFFAOYSA-OSynonyms
2(2AMINO5((34DIMETHYLPHENOXY)METHYL)134THIADIAZOL3IUM3YL)1THIOPHEN2YLETHANONE
5((34DIMETHYLPHENOXY)METHYL)3(2OXO2(THIOPHEN2YL)ETHYL)134THIADIAZOL2(3H)IMINIUM
CC1=C(C=C(C=C1)OCC2=N(N+)(=C(S2)N)CC(=O)C3=CC=CS3)C
InChI=1SC17H17N3O2S2c1115613(812(11)2)2210161920(17(18)2416)914(21)154372315h3818H910H212H3p+1
O=C(c1cccs1)Cn1nc(sc1=(NH2+))COc1ccc(c(c1)C)C
STK026700
ZINC000004592788
ZINC33422405
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