Vitas-M small molecule compound
8-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3-(3,4-dimethylphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK886945
SMILES CCOc1cc(cc(c1O)Br)C1CC(=O)N2C(=C1C#N)SCN(C2)c1ccc(c(c1)C)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 C24H24BrN3O3S MW 514.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24BrN3O3S/c1-4-31-21-9-16(8-20(25)23(21)30)18-10-22(29)28-12-27(13-32-24(28)19(18)11-26)17-6-5-14(2)15(3)7-17/h5-9,18,30H,4,10,12-13H2,1-3H3InChIKey
AENASOLQCMCHHE-UHFFFAOYSA-NSynonyms
8(3bromo5ethoxy4hydroxyphenyl)3(34dimethylphenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
8(3bromo5ethoxy4hydroxyphenyl)3(34dimethylphenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
CCOC1=C(C(=CC(=C1)C2CC(=O)N3CN(CSC3=C2C#N)C4=CC(=C(C=C4)C)C)Br)O
InChI=1SC24H24BrN3O3Sc143121916(820(25)23(21)30)181022(29)281227(133224(28)19(18)1126)176514(2)15(3)717h591830H4101213H213H3
MFCD10087628
ZINC000009693505
ZINC000009693506
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