Vitas-M small molecule compound
5-(2-methoxybenzyl)-1-[3-(trifluoromethyl)phenyl]-1,3,5-triazinane-2-thione
Catalog ID
STK696127
SMILES COc1ccccc1CN1CNC(=S)N(C1)c1cccc(c1)C(F)(F)F
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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 C18H18F3N3OS MW 381.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18F3N3OS/c1-25-16-8-3-2-5-13(16)10-23-11-22-17(26)24(12-23)15-7-4-6-14(9-15)18(19,20)21/h2-9H,10-12H2,1H3,(H,22,26)InChIKey
LZIGGIMUKQRUPP-UHFFFAOYSA-NSynonyms
5((2METHOXYPHENYL)METHYL)1(3(TRIFLUOROMETHYL)PHENYL)135TRIAZINANE2THIONE
5(2methoxybenzyl)1(3(trifluoromethyl)phenyl)135triazinane2thione
COC1=CC=CC=C1CN2CNC(=S)N(C2)C3=CC=CC(=C3)C(F)(F)F
InChI=1SC18H18F3N3OSc12516832513(16)1023112217(26)24(1223)1574614(915)18(1920)21h29H1012H21H3(H2226)
MFCD06014957
ZINC000019874645
ZINC19874645
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