Vitas-M small molecule compound
3-cyclohexyl-8-(4-hydroxy-3-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK886832
SMILES N#CC1=C2SCN(CN2C(=O)CC1c1ccc(c(c1)OC)O)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 C21H25N3O3S MW 399.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O3S/c1-27-19-9-14(7-8-18(19)25)16-10-20(26)24-12-23(15-5-3-2-4-6-15)13-28-21(24)17(16)11-22/h7-9,15-16,25H,2-6,10,12-13H2,1H3InChIKey
WSXLEPBOYKMCRD-UHFFFAOYSA-NSynonyms
3cyclohexyl8(4hydroxy3methoxyphenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
3cyclohexyl8(4hydroxy3methoxyphenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
COC1=C(C=CC(=C1)C2CC(=O)N3CN(CSC3=C2C#N)C4CCCCC4)O
InChI=1SC21H25N3O3Sc12719914(7818(19)25)161020(26)241223(155324615)132821(24)17(16)1122h79151625H26101213H21H3
MFCD10087426
ZINC000020238032
ZINC000020238035
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