Vitas-M small molecule compound
5-[2-(3,4-dimethoxyphenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]-1,3,5-triazinane-2-thione
Catalog ID
STK696126
SMILES COc1cc(CCN2CNC(=S)N(C2)c2cccc(c2)C(F)(F)F)ccc1OC
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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 C20H22F3N3O2S MW 425.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22F3N3O2S/c1-27-17-7-6-14(10-18(17)28-2)8-9-25-12-24-19(29)26(13-25)16-5-3-4-15(11-16)20(21,22)23/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,24,29)InChIKey
KASXVUSPLHBTSV-UHFFFAOYSA-NSynonyms
5(2(34dimethoxyphenyl)ethyl)1(3(trifluoromethyl)phenyl)135triazinane2thione
COC1=C(C=C(C=C1)CCN2CNC(=S)N(C2)C3=CC=CC(=C3)C(F)(F)F)OC
InChI=1SC20H22F3N3O2Sc127177614(1018(17)282)8925122419(29)26(1325)1653415(1116)20(2122)23h371011H891213H212H3(H2429)
MFCD06177226
ZINC000012371302
ZINC12371302
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