Vitas-M small molecule compound
8-(5-bromo-2-methoxyphenyl)-3-(2,4-dimethoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK827490
SMILES COc1ccc(c(c1)OC)N1CSC2=C(C#N)C(CC(=O)N2C1)c1cc(Br)ccc1OC
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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 C23H22BrN3O4S MW 516.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22BrN3O4S/c1-29-15-5-6-19(21(9-15)31-3)26-12-27-22(28)10-16(18(11-25)23(27)32-13-26)17-8-14(24)4-7-20(17)30-2/h4-9,16H,10,12-13H2,1-3H3InChIKey
OINPORONNIYZKE-UHFFFAOYSA-NSynonyms
8(5bromo2methoxyphenyl)3(24dimethoxyphenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
8(5bromo2methoxyphenyl)3(24dimethoxyphenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
COC1=CC(=C(C=C1)N2CN3C(=O)CC(C(=C3SC2)C#N)C4=C(C=CC(=C4)Br)OC)OC
InChI=1SC23H22BrN3O4Sc129155619(21(915)313)26122722(28)1016(18(1125)23(27)321326)17814(24)4720(17)302h4916H101213H213H3
MFCD10087945
ZINC000009693465
ZINC000009693466
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