Vitas-M small molecule compound
8-(5-bromo-2-methoxyphenyl)-3-(4-chlorophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK827514
SMILES N#CC1=C2SCN(CN2C(=O)CC1c1cc(Br)ccc1OC)c1ccc(cc1)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 C21H17BrClN3O2S MW 490.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17BrClN3O2S/c1-28-19-7-2-13(22)8-17(19)16-9-20(27)26-11-25(12-29-21(26)18(16)10-24)15-5-3-14(23)4-6-15/h2-8,16H,9,11-12H2,1H3InChIKey
QFVQBGSQTWDLTK-UHFFFAOYSA-NSynonyms
8(5bromo2methoxyphenyl)3(4chlorophenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
8(5bromo2methoxyphenyl)3(4chlorophenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
COC1=C(C=C(C=C1)Br)C2CC(=O)N3CN(CSC3=C2C#N)C4=CC=C(C=C4)Cl
InChI=1SC21H17BrClN3O2Sc128197213(22)817(19)16920(27)261125(122921(26)18(16)1024)155314(23)4615h2816H91112H21H3
MFCD10087994
ZINC000009693479
ZINC000009693480
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