Vitas-M small molecule compound
5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-3-[2-oxo-2-(thiophen-2-yl)ethyl]-1,3,4-thiadiazol-2(3H)-iminium
Catalog ID
STK088006
SMILES Cc1ccc(c(c1)OCc1sc(=[NH2+])n(n1)CC(=O)c1cccs1)C(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 C19H22N3O2S2 MW 388.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N3O2S2/c1-12(2)14-7-6-13(3)9-16(14)24-11-18-21-22(19(20)26-18)10-15(23)17-5-4-8-25-17/h4-9,12,20H,10-11H2,1-3H3/p+1InChIKey
QXTDYTFXBAAKOF-UHFFFAOYSA-OSynonyms
2(2AMINO5((5METHYL2PROPAN2YLPHENOXY)METHYL)134THIADIAZOL3IUM3YL)1THIOPHEN2YLETHANONE
5((5METHYL2(PROPAN2YL)PHENOXY)METHYL)3(2OXO2(THIOPHEN2YL)ETHYL)134THIADIAZOL2(3H)IMINIUM
CC1=CC(=C(C=C1)C(C)C)OCC2=N(N+)(=C(S2)N)CC(=O)C3=CC=CS3
Cc1ccc(c(c1)OCc1sc(=(NH2+))n(n1)CC(=O)c1cccs1)C(C)C
InChI=1SC19H21N3O2S2c112(2)147613(3)916(14)2411182122(19(20)2618)1015(23)175482517h491220H1011H213H3p+1
STK088006
ZINC000004673180
ZINC33422404
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