Vitas-M small molecule compound
8-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-(4-methylphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK827340
SMILES N#CC1=C2SCN(CN2C(=O)CC1c1cc(Br)c(c(c1)OC)O)c1ccc(cc1)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 C22H20BrN3O3S MW 486.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20BrN3O3S/c1-13-3-5-15(6-4-13)25-11-26-20(27)9-16(17(10-24)22(26)30-12-25)14-7-18(23)21(28)19(8-14)29-2/h3-8,16,28H,9,11-12H2,1-2H3InChIKey
DYVCHZRMKJHUIC-UHFFFAOYSA-NSynonyms
8(3bromo4hydroxy5methoxyphenyl)3(4methylphenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
8(3bromo4hydroxy5methoxyphenyl)3(4methylphenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
CC1=CC=C(C=C1)N2CN3C(=O)CC(C(=C3SC2)C#N)C4=CC(=C(C(=C4)Br)O)OC
InChI=1SC22H20BrN3O3Sc1133515(6413)25112620(27)916(17(1024)22(26)301225)14718(23)21(28)19(814)292h381628H91112H212H3
MFCD10087651
ZINC000009693521
ZINC000009693522
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