Vitas-M small molecule compound
8-{4-[(4-chlorobenzyl)oxy]phenyl}-3-(2-ethoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK887021
SMILES CCOc1ccccc1N1CSC2=C(C#N)C(CC(=O)N2C1)c1ccc(cc1)OCc1ccc(cc1)Cl
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C29H26ClN3O3S MW 532.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26ClN3O3S/c1-2-35-27-6-4-3-5-26(27)32-18-33-28(34)15-24(25(16-31)29(33)37-19-32)21-9-13-23(14-10-21)36-17-20-7-11-22(30)12-8-20/h3-14,24H,2,15,17-19H2,1H3InChIKey
BGYFVSUOICUZIN-UHFFFAOYSA-NSynonyms
8(4((4chlorobenzyl)oxy)phenyl)3(2ethoxyphenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
8(4((4chlorophenyl)methoxy)phenyl)3(2ethoxyphenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
CCOC1=CC=CC=C1N2CN3C(=O)CC(C(=C3SC2)C#N)C4=CC=C(C=C4)OCC5=CC=C(C=C5)Cl
InChI=1SC29H26ClN3O3Sc123527643526(27)32183328(34)1524(25(1631)29(33)371932)2191323(141021)36172071122(30)12820h31424H2151719H21H3
MFCD10087756
ZINC000098048479
ZINC000098048480
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