Vitas-M small molecule compound
6-(4-ethoxyphenyl)-3-methyl-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
Catalog ID
STL358945
SMILES CCOc1ccc(cc1)C1Nn2c(SC1C(=O)Nc1cccc(c1)C(F)(F)F)nnc2C
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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/c1-3-31-16-9-7-13(8-10-16)17-18(32-20-27-26-12(2)29(20)28-17)19(30)25-15-6-4-5-14(11-15)21(22,23)24/h4-11,17-18,28H,3H2,1-2H3,(H,25,30)InChIKey
XSQUCDOJIIUWPN-UHFFFAOYSA-NSynonyms
874586-33-16(4ethoxyphenyl)3methylN(3(trifluoromethyl)phenyl)67dihydro5H(124)triazolo(34b)(134)thiadiazine7carboxamide
874586331
CCOC1=CC=C(C=C1)C2C(SC3=NN=C(N3N2)C)C(=O)NC4=CC=CC(=C4)C(F)(F)F
InChI=1SC21H20F3N5O2Sc1331169713(81016)1718(3220272612(2)29(20)2817)19(30)251564514(1115)21(2223)24h411171828H3H212H3(H2530)
MFCD07433437
ZINC000009237846
ZINC000009237849
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