Vitas-M small molecule compound
8-(5-bromo-2-methoxyphenyl)-3-(4-bromophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK887191
SMILES N#CC1=C2SCN(CN2C(=O)CC1c1cc(Br)ccc1OC)c1ccc(cc1)Br
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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 C21H17Br2N3O2S MW 535.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17Br2N3O2S/c1-28-19-7-4-14(23)8-17(19)16-9-20(27)26-11-25(12-29-21(26)18(16)10-24)15-5-2-13(22)3-6-15/h2-8,16H,9,11-12H2,1H3InChIKey
CNDDNEQIESLXRE-UHFFFAOYSA-NSynonyms
8(5bromo2methoxyphenyl)3(4bromophenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
8(5bromo2methoxyphenyl)3(4bromophenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
COC1=C(C=C(C=C1)Br)C2CC(=O)N3CN(CSC3=C2C#N)C4=CC=C(C=C4)Br
InChI=1SC21H17Br2N3O2Sc128197414(23)817(19)16920(27)261125(122921(26)18(16)1024)155213(22)3615h2816H91112H21H3
MFCD10088021
ZINC000098048485
ZINC000098048486
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