Vitas-M small molecule compound
N-(3-chloro-2-methylphenyl)-3-ethyl-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
Catalog ID
STL359771
SMILES CCc1nnc2n1NC(c1ccccc1)C(S2)C(=O)Nc1cccc(c1C)Cl
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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 C20H20ClN5OS MW 413.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20ClN5OS/c1-3-16-23-24-20-26(16)25-17(13-8-5-4-6-9-13)18(28-20)19(27)22-15-11-7-10-14(21)12(15)2/h4-11,17-18,25H,3H2,1-2H3,(H,22,27)InChIKey
GCJDROYUPXHUTM-UHFFFAOYSA-NSynonyms
CCC1=NN=C2N1NC(C(S2)C(=O)NC3=C(C(=CC=C3)Cl)C)C4=CC=CC=C4
InChI=1SC20H20ClN5OSc131623242026(16)2517(138546913)18(2820)19(27)22151171014(21)12(15)2h411171825H3H212H3(H2227)
MFCD08107002
N(3chloro2methylphenyl)3ethyl6phenyl67dihydro5H(124)triazolo(34b)(134)thiadiazine7carboxamide
ZINC000006811796
ZINC000006811799
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