Vitas-M small molecule compound

8-(4-ethoxy-3-methoxyphenyl)-3-methyl-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile

Catalog ID
STK886804
SMILES CCOc1ccc(cc1OC)C1CC(=O)N2C(=C1C#N)SCN(C2)C

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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 C18H21N3O3S MW 359.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3O3S/c1-4-24-15-6-5-12(7-16(15)23-3)13-8-17(22)21-10-20(2)11-25-18(21)14(13)9-19/h5-7,13H,4,8,10-11H2,1-3H3
InChIKey
DPXAWTNSKFEZNM-UHFFFAOYSA-N
Synonyms

8(4ethoxy3methoxyphenyl)3methyl6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
8(4ethoxy3methoxyphenyl)3methyl6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
CCOC1=C(C=C(C=C1)C2CC(=O)N3CN(CSC3=C2C#N)C)OC
InChI=1SC18H21N3O3Sc1424156512(716(15)233)13817(22)211020(2)112518(21)14(13)919h5713H481011H213H3
MFCD10087390
ZINC000020238071
ZINC000020238074

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.