Vitas-M small molecule compound
8-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3-(4-chlorophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK886799
SMILES CCOc1cc(cc(c1O)Br)C1CC(=O)N2C(=C1C#N)SCN(C2)c1ccc(cc1)Cl
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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 C22H19BrClN3O3S MW 520.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19BrClN3O3S/c1-2-30-19-8-13(7-18(23)21(19)29)16-9-20(28)27-11-26(12-31-22(27)17(16)10-25)15-5-3-14(24)4-6-15/h3-8,16,29H,2,9,11-12H2,1H3InChIKey
VBOYROZTAOUDDO-UHFFFAOYSA-NSynonyms
897831-43-58(3bromo5ethoxy4hydroxyphenyl)3(4chlorophenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
8(3bromo5ethoxy4hydroxyphenyl)3(4chlorophenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
897831435
CCOC1=C(C(=CC(=C1)C2CC(=O)N3CN(CSC3=C2C#N)C4=CC=C(C=C4)Cl)Br)O
InChI=1SC22H19BrClN3O3Sc123019813(718(23)21(19)29)16920(28)271126(123122(27)17(16)1025)155314(24)4615h381629H291112H21H3
MFCD07654843
ZINC000056683787
ZINC000056683788
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