Vitas-M small molecule compound
8-{4-[(2-chlorobenzyl)oxy]phenyl}-3-(4-ethylphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK827381
SMILES N#CC1=C2SCN(CN2C(=O)CC1c1ccc(cc1)OCc1ccccc1Cl)c1ccc(cc1)CC
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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/c1-2-20-7-11-23(12-8-20)32-18-33-28(34)15-25(26(16-31)29(33)36-19-32)21-9-13-24(14-10-21)35-17-22-5-3-4-6-27(22)30/h3-14,25H,2,15,17-19H2,1H3InChIKey
AORWRRMOXAWERW-UHFFFAOYSA-NSynonyms
8(4((2chlorobenzyl)oxy)phenyl)3(4ethylphenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
8(4((2chlorophenyl)methoxy)phenyl)3(4ethylphenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
CCC1=CC=C(C=C1)N2CN3C(=O)CC(C(=C3SC2)C#N)C4=CC=C(C=C4)OCC5=CC=CC=C5Cl
InChI=1SC29H26ClN3O2Sc122071123(12820)32183328(34)1525(26(1631)29(33)361932)2191324(141021)351722534627(22)30h31425H2151719H21H3
MFCD10087730
ZINC000012251084
ZINC000012251085
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