Vitas-M small molecule compound
8-(3-bromo-4-hydroxy-5-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
STK827327
SMILES COc1ccc(c(c1)OC)N1CSC2=C(C#N)C(CC(=O)N2C1)c1cc(Br)c(c(c1)OC)O
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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 C23H22BrN3O5S MW 532.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22BrN3O5S/c1-30-14-4-5-18(19(8-14)31-2)26-11-27-21(28)9-15(16(10-25)23(27)33-12-26)13-6-17(24)22(29)20(7-13)32-3/h4-8,15,29H,9,11-12H2,1-3H3InChIKey
NFVLIKOMXXQQHL-UHFFFAOYSA-NSynonyms
8(3bromo4hydroxy5methoxyphenyl)3(24dimethoxyphenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
8(3bromo4hydroxy5methoxyphenyl)3(24dimethoxyphenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
COC1=CC(=C(C=C1)N2CN3C(=O)CC(C(=C3SC2)C#N)C4=CC(=C(C(=C4)Br)O)OC)OC
InChI=1SC23H22BrN3O5Sc130144518(19(814)312)26112721(28)915(16(1025)23(27)331226)13617(24)22(29)20(713)323h481529H91112H213H3
MFCD10087621
ZINC000098048413
ZINC000098048414
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