Vitas-M small molecule compound
3-ethyl-6-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
Catalog ID
STL359846
SMILES CCc1nnc2n1NC(c1ccc(cc1)OC)C(S2)C(=O)Nc1cccc(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 C21H20F3N5O2S MW 463.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20F3N5O2S/c1-3-16-26-27-20-29(16)28-17(12-7-9-15(31-2)10-8-12)18(32-20)19(30)25-14-6-4-5-13(11-14)21(22,23)24/h4-11,17-18,28H,3H2,1-2H3,(H,25,30)InChIKey
SYMOLKBERKWYJM-UHFFFAOYSA-NSynonyms
891031-01-93ethyl6(4methoxyphenyl)N(3(trifluoromethyl)phenyl)67dihydro5H(124)triazolo(34b)(134)thiadiazine7carboxamide
891031019
CCC1=NN=C2N1NC(C(S2)C(=O)NC3=CC=CC(=C3)C(F)(F)F)C4=CC=C(C=C4)OC
InChI=1SC21H20F3N5O2Sc131626272029(16)2817(127915(312)10812)18(3220)19(30)251464513(1114)21(2223)24h411171828H3H212H3(H2530)
MFCD08107102
ZINC000009239327
ZINC000009239330
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