Vitas-M small molecule compound

8-(1,3-benzodioxol-5-yl)-3-benzyl-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile

Catalog ID
STK850340
SMILES N#CC1=C2SCN(CN2C(=O)CC1c1ccc2c(c1)OCO2)Cc1ccccc1

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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 C22H19N3O3S MW 405.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O3S/c23-10-18-17(16-6-7-19-20(8-16)28-14-27-19)9-21(26)25-12-24(13-29-22(18)25)11-15-4-2-1-3-5-15/h1-8,17H,9,11-14H2
InChIKey
NELGWBDLQWNGRE-UHFFFAOYSA-N
Synonyms
876886-23-6
8(13benzodioxol5yl)3benzyl6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
8(13benzodioxol5yl)3benzyl6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
8(benzo(d)(13)dioxol5yl)3benzyl6oxo234678hexahydropyrido(21b)(135)thiadiazine9carbonitrile
876886236
C1C(C(=C2N(C1=O)CN(CS2)CC3=CC=CC=C3)C#N)C4=CC5=C(C=C4)OCO5
InChI=1SC22H19N3O3Sc23101817(16671920(816)28142719)921(26)251224(132922(18)25)11154213515h1817H91114H2
MFCD06591747
ZINC000020029481
ZINC000020029482

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Available files

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