Vitas-M small molecule compound
3-cyclopentyl-8-(4-ethoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK886452
SMILES CCOc1ccc(cc1)C1CC(=O)N2C(=C1C#N)SCN(C2)C1CCCC1
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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 C21H25N3O2S MW 383.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O2S/c1-2-26-17-9-7-15(8-10-17)18-11-20(25)24-13-23(16-5-3-4-6-16)14-27-21(24)19(18)12-22/h7-10,16,18H,2-6,11,13-14H2,1H3InChIKey
LSZHKNGJJBSCEW-UHFFFAOYSA-NSynonyms
3cyclopentyl8(4ethoxyphenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
3cyclopentyl8(4ethoxyphenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
CCOC1=CC=C(C=C1)C2CC(=O)N3CN(CSC3=C2C#N)C4CCCC4
InChI=1SC21H25N3O2Sc1226179715(81017)181120(25)241323(16534616)142721(24)19(18)1222h7101618H26111314H21H3
MFCD10086906
ZINC000020347975
ZINC000020347976
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