Vitas-M small molecule compound
3-ethyl-6-(4-ethylphenyl)-N-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
Catalog ID
STL359807
SMILES CCc1nnc2n1NC(c1ccc(cc1)CC)C(S2)C(=O)Nc1ccc(cc1)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 C21H22FN5OS MW 411.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22FN5OS/c1-3-13-5-7-14(8-6-13)18-19(20(28)23-16-11-9-15(22)10-12-16)29-21-25-24-17(4-2)27(21)26-18/h5-12,18-19,26H,3-4H2,1-2H3,(H,23,28)InChIKey
FRWACPRDHSVAAO-UHFFFAOYSA-NSynonyms
3ethyl6(4ethylphenyl)N(4fluorophenyl)67dihydro5H(124)triazolo(34b)(134)thiadiazine7carboxamide
CCC1=CC=C(C=C1)C2C(SC3=NN=C(N3N2)CC)C(=O)NC4=CC=C(C=C4)F
InChI=1SC21H22FN5OSc13135714(8613)1819(20(28)231611915(22)101216)2921252417(42)27(21)2618h512181926H34H212H3(H2328)
MFCD08107108
ZINC000006811928
ZINC000006811931
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