Vitas-M small molecule compound
N-(4-bromo-3-methylphenyl)-3-methyl-6-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
Catalog ID
STL359035
SMILES Cc1ccc(cc1)C1Nn2c(SC1C(=O)Nc1ccc(c(c1)C)Br)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 C20H20BrN5OS MW 458.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20BrN5OS/c1-11-4-6-14(7-5-11)17-18(28-20-24-23-13(3)26(20)25-17)19(27)22-15-8-9-16(21)12(2)10-15/h4-10,17-18,25H,1-3H3,(H,22,27)InChIKey
YITFJMBMLMXHOS-UHFFFAOYSA-NSynonyms
892245-16-8892245168
CC1=CC=C(C=C1)C2C(SC3=NN=C(N3N2)C)C(=O)NC4=CC(=C(C=C4)Br)C
InChI=1SC20H20BrN5OSc1114614(7511)1718(2820242313(3)26(20)2517)19(27)22158916(21)12(2)1015h410171825H13H3(H2227)
MFCD08098491
N(4bromo3methylphenyl)3methyl6(4methylphenyl)67dihydro5H(124)triazolo(34b)(134)thiadiazine7carboxamide
ZINC000009237269
ZINC000009237275
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