Vitas-M small molecule compound
8-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-(4-ethylphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK827324
SMILES CCc1ccc(cc1)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 C23H22BrN3O3S MW 500.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22BrN3O3S/c1-3-14-4-6-16(7-5-14)26-12-27-21(28)10-17(18(11-25)23(27)31-13-26)15-8-19(24)22(29)20(9-15)30-2/h4-9,17,29H,3,10,12-13H2,1-2H3InChIKey
JAAGJHCRGMYTEG-UHFFFAOYSA-NSynonyms
8(3bromo4hydroxy5methoxyphenyl)3(4ethylphenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
8(3bromo4hydroxy5methoxyphenyl)3(4ethylphenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
CCC1=CC=C(C=C1)N2CN3C(=O)CC(C(=C3SC2)C#N)C4=CC(=C(C(=C4)Br)O)OC
InChI=1SC23H22BrN3O3Sc13144616(7514)26122721(28)1017(18(1125)23(27)311326)15819(24)22(29)20(915)302h491729H3101213H212H3
MFCD10087619
ZINC000009693497
ZINC000009693498
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