Vitas-M small molecule compound
3-benzyl-8-(3-ethoxy-4-hydroxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK827222
SMILES CCOc1cc(ccc1O)C1CC(=O)N2C(=C1C#N)SCN(C2)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 C23H23N3O3S MW 421.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O3S/c1-2-29-21-10-17(8-9-20(21)27)18-11-22(28)26-14-25(13-16-6-4-3-5-7-16)15-30-23(26)19(18)12-24/h3-10,18,27H,2,11,13-15H2,1H3InChIKey
UHBLWYJCMQREQB-UHFFFAOYSA-NSynonyms
3benzyl8(3ethoxy4hydroxyphenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
3benzyl8(3ethoxy4hydroxyphenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
CCOC1=C(C=CC(=C1)C2CC(=O)N3CN(CSC3=C2C#N)CC4=CC=CC=C4)O
InChI=1SC23H23N3O3Sc1229211017(8920(21)27)181122(28)261425(13166435716)153023(26)19(18)1224h3101827H2111315H21H3
MFCD10087413
ZINC000020238054
ZINC000020238057
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