Vitas-M small molecule compound
8-{4-[(2-chlorobenzyl)oxy]phenyl}-3-(2-ethylphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK887003
SMILES N#CC1=C2SCN(CN2C(=O)CC1c1ccc(cc1)OCc1ccccc1Cl)c1ccccc1CC
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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 C29H26ClN3O2S MW 516.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26ClN3O2S/c1-2-20-7-4-6-10-27(20)32-18-33-28(34)15-24(25(16-31)29(33)36-19-32)21-11-13-23(14-12-21)35-17-22-8-3-5-9-26(22)30/h3-14,24H,2,15,17-19H2,1H3InChIKey
XPRQHUXHVWLPGQ-UHFFFAOYSA-NSynonyms
8(4((2chlorobenzyl)oxy)phenyl)3(2ethylphenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
8(4((2chlorophenyl)methoxy)phenyl)3(2ethylphenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
CCC1=CC=CC=C1N2CN3C(=O)CC(C(=C3SC2)C#N)C4=CC=C(C=C4)OCC5=CC=CC=C5Cl
InChI=1SC29H26ClN3O2Sc12207461027(20)32183328(34)1524(25(1631)29(33)361932)21111323(141221)351722835926(22)30h31424H2151719H21H3
MFCD10087725
ZINC000012251080
ZINC000012251081
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