Vitas-M small molecule compound
8-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3-(4-methylphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK827331
SMILES CCOc1cc(cc(c1O)Br)C1CC(=O)N2C(=C1C#N)SCN(C2)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 C23H22BrN3O3S MW 500.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22BrN3O3S/c1-3-30-20-9-15(8-19(24)22(20)29)17-10-21(28)27-12-26(13-31-23(27)18(17)11-25)16-6-4-14(2)5-7-16/h4-9,17,29H,3,10,12-13H2,1-2H3InChIKey
HCSISWXPHKRAQR-UHFFFAOYSA-NSynonyms
8(3bromo5ethoxy4hydroxyphenyl)3(4methylphenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
8(3bromo5ethoxy4hydroxyphenyl)3(4methylphenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
CCOC1=C(C(=CC(=C1)C2CC(=O)N3CN(CSC3=C2C#N)C4=CC=C(C=C4)C)Br)O
InChI=1SC23H22BrN3O3Sc133020915(819(24)22(20)29)171021(28)271226(133123(27)18(17)1125)166414(2)5716h491729H3101213H212H3
MFCD10087626
ZINC000009693503
ZINC000009693504
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