Vitas-M small molecule compound
8-{4-[(2-chlorobenzyl)oxy]phenyl}-6-oxo-3-phenyl-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK827379
SMILES N#CC1=C2SCN(CN2C(=O)CC1c1ccc(cc1)OCc1ccccc1Cl)c1ccccc1
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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 C27H22ClN3O2S MW 488.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22ClN3O2S/c28-25-9-5-4-6-20(25)16-33-22-12-10-19(11-13-22)23-14-26(32)31-17-30(21-7-2-1-3-8-21)18-34-27(31)24(23)15-29/h1-13,23H,14,16-18H2InChIKey
RRGASVMPYOHJEE-UHFFFAOYSA-NSynonyms
8(4((2chlorobenzyl)oxy)phenyl)6oxo3phenyl3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
8(4((2chlorophenyl)methoxy)phenyl)6oxo3phenyl2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
C1C(C(=C2N(C1=O)CN(CS2)C3=CC=CC=C3)C#N)C4=CC=C(C=C4)OCC5=CC=CC=C5Cl
InChI=1SC27H22ClN3O2Sc2825954620(25)163322121019(111322)231426(32)311730(217213821)183427(31)24(23)1529h11323H141618H2
MFCD10087722
ZINC000012251076
ZINC000012251077
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