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Vitas-M small molecule compound

N-{3-bromo-5-ethoxy-4-[(4-fluorobenzyl)oxy]benzyl}-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethanamine

Catalog ID
STK513790
SMILES CCOc1cc(CNCCSc2nnnn2C)cc(c1OCc1ccc(cc1)F)Br

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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 C20H23BrFN5O2S MW 496.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23BrFN5O2S/c1-3-28-18-11-15(12-23-8-9-30-20-24-25-26-27(20)2)10-17(21)19(18)29-13-14-4-6-16(22)7-5-14/h4-7,10-11,23H,3,8-9,12-13H2,1-2H3
InChIKey
QAFDMBNKFWYEKC-UHFFFAOYSA-N
Synonyms

(3BROMO5ETHOXY4(4FLUOROBENZYL)OXYBENZYL)(2((1METHYLTETRAZOL5YL)THIO)ETHYL)AMINEHYDROCHLORIDE
CCOC1=C(C(=CC(=C1)CNCCSC2=NN=NN2C)Br)OCC3=CC=C(C=C3)F
InChI=1SC20H23BrFN5O2Sc1328181115(122389302024252627(20)2)1017(21)19(18)2913144616(22)7514h47101123H3891213H212H3
MFCD05884154
N((3BROMO5ETHOXY4((4FLUOROPHENYL)METHOXY)PHENYL)METHYL)2((1METHYL5TETRAZOLYL)THIO)ETHANAMINEHYDROCHLORIDE
N((3BROMO5ETHOXY4((4FLUOROPHENYL)METHOXY)PHENYL)METHYL)2(1METHYLTETRAZOL5YL)SULFANYLETHANAMINE
N((3BROMO5ETHOXY4((4FLUOROPHENYL)METHOXY)PHENYL)METHYL)2(1METHYLTETRAZOL5YL)SULFANYLETHANAMINEHYDROCHLORIDE
N(3bromo5ethoxy4((4fluorobenzyl)oxy)benzyl)2((1methyl1Htetrazol5yl)sulfanyl)ethanamine
N(3BROMO5ETHOXY4((4FLUOROBENZYL)OXY)BENZYL)2((1METHYL1HTETRAZOL5YL)THIO)ETHANAMINEHYDROCHLORIDE
N(3BROMO5ETHOXY4((4FLUOROBENZYL)OXY)BENZYL)N(2((1METHYL1HTETRAAZOL5YL)SULFANYL)ETHYL)AMINE
ZINC000002889958
ZINC2889958

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Available files

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