Vitas-M small molecule compound
N-(4-bromo-3-methylphenyl)-6-(4-ethoxyphenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
Catalog ID
STL358948
SMILES CCOc1ccc(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 C21H22BrN5O2S MW 488.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22BrN5O2S/c1-4-29-16-8-5-14(6-9-16)18-19(30-21-25-24-13(3)27(21)26-18)20(28)23-15-7-10-17(22)12(2)11-15/h5-11,18-19,26H,4H2,1-3H3,(H,23,28)InChIKey
OKLCCFPNBYBSAJ-UHFFFAOYSA-NSynonyms
874586-36-4874586364
CCOC1=CC=C(C=C1)C2C(SC3=NN=C(N3N2)C)C(=O)NC4=CC(=C(C=C4)Br)C
InChI=1SC21H22BrN5O2Sc1429168514(6916)1819(3021252413(3)27(21)2618)20(28)231571017(22)12(2)1115h511181926H4H213H3(H2328)
MFCD07433440
N(4bromo3methylphenyl)6(4ethoxyphenyl)3methyl67dihydro5H(124)triazolo(34b)(134)thiadiazine7carboxamide
ZINC000009237850
ZINC000009237853
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