Vitas-M small molecule compound
8-(3-ethoxy-4-hydroxyphenyl)-6-oxo-3-phenyl-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK887039
SMILES CCOc1cc(ccc1O)C1CC(=O)N2C(=C1C#N)SCN(C2)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 C22H21N3O3S MW 407.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O3S/c1-2-28-20-10-15(8-9-19(20)26)17-11-21(27)25-13-24(16-6-4-3-5-7-16)14-29-22(25)18(17)12-23/h3-10,17,26H,2,11,13-14H2,1H3InChIKey
DVGVXFMIQPJUFR-UHFFFAOYSA-NSynonyms
8(3ethoxy4hydroxyphenyl)6oxo3phenyl2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
8(3ethoxy4hydroxyphenyl)6oxo3phenyl3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
CCOC1=C(C=CC(=C1)C2CC(=O)N3CN(CSC3=C2C#N)C4=CC=CC=C4)O
InChI=1SC22H21N3O3Sc1228201015(8919(20)26)171121(27)251324(166435716)142922(25)18(17)1223h3101726H2111314H21H3
MFCD07188134
ZINC000004412418
ZINC000009693252
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