Vitas-M small molecule compound
6-(3-bromo-4-methoxyphenyl)-N-(2,5-dimethylphenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
Catalog ID
STL359002
SMILES COc1ccc(cc1Br)C1Nn2c(SC1C(=O)Nc1cc(C)ccc1C)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/c1-11-5-6-12(2)16(9-11)23-20(28)19-18(14-7-8-17(29-4)15(22)10-14)26-27-13(3)24-25-21(27)30-19/h5-10,18-19,26H,1-4H3,(H,23,28)InChIKey
NCYNRRPLGWWTMC-UHFFFAOYSA-NSynonyms
874586-97-76(3bromo4methoxyphenyl)N(25dimethylphenyl)3methyl67dihydro5H(124)triazolo(34b)(134)thiadiazine7carboxamide
874586977
CC1=CC(=C(C=C1)C)NC(=O)C2C(NN3C(=NN=C3S2)C)C4=CC(=C(C=C4)OC)Br
InChI=1SC21H22BrN5O2Sc1115612(2)16(911)2320(28)1918(147817(294)15(22)1014)262713(3)242521(27)3019h510181926H14H3(H2328)
MFCD07433502
ZINC000009237779
ZINC000009237785
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