Vitas-M small molecule compound
6-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)-3-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
Catalog ID
STL359012
SMILES COCCNC(=O)C1Sc2nnc(n2NC1c1ccc(c(c1)Br)OC)C
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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 C16H20BrN5O3S MW 442.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20BrN5O3S/c1-9-19-20-16-22(9)21-13(10-4-5-12(25-3)11(17)8-10)14(26-16)15(23)18-6-7-24-2/h4-5,8,13-14,21H,6-7H2,1-3H3,(H,18,23)InChIKey
BKQNPSOSMFNWNO-UHFFFAOYSA-NSynonyms
6(3bromo4methoxyphenyl)N(2methoxyethyl)3methyl67dihydro5H(124)triazolo(34b)(134)thiadiazine7carboxamide
CC1=NN=C2N1NC(C(S2)C(=O)NCCOC)C3=CC(=C(C=C3)OC)Br
InChI=1SC16H20BrN5O3Sc1919201622(9)2113(104512(253)11(17)810)14(2616)15(23)1867242h458131421H67H213H3(H1823)
MFCD07433514
ZINC000009238841
ZINC000009238844
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