Vitas-M small molecule compound
5-(3,4-dimethoxyphenyl)-3-(2-oxo-2-phenylethyl)-1,3,4-thiadiazol-2(3H)-iminium
Catalog ID
STK019483
SMILES COc1cc(ccc1OC)c1nn(c(=[NH2+])s1)CC(=O)c1ccccc1
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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 C18H18N3O3S MW 356.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O3S/c1-23-15-9-8-13(10-16(15)24-2)17-20-21(18(19)25-17)11-14(22)12-6-4-3-5-7-12/h3-10,19H,11H2,1-2H3/p+1InChIKey
SKURNUKOCYZABK-UHFFFAOYSA-OSynonyms
2(2AMINO5(34DIMETHOXYPHENYL)134THIADIAZOL3IUM3YL)1PHENYLETHANONE
2AMINO5(34DIMETHOXYPHENYL)3(2OXO2PHENYLETHYL)134THIADIAZOL3IUM
5(34DIMETHOXYPHENYL)3(2OXO2PHENYLETHYL)134THIADIAZOL2(3H)IMINIUM
COC1=C(C=C(C=C1)C2=N(N+)(=C(S2)N)CC(=O)C3=CC=CC=C3)OC
COc1cc(ccc1OC)c1nn(c(=(NH2+))s1)CC(=O)c1ccccc1
InChI=1SC18H17N3O3Sc123159813(1016(15)242)172021(18(19)2517)1114(22)126435712h31019H11H212H3p+1
MFCD08049786
STK019483
ZINC000004589149
ZINC33861996
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