Vitas-M small molecule compound
3-benzyl-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
STK886800
SMILES N#CC1=C2SCN(CN2C(=O)CC1c1ccc(c(c1)OC)O)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 C22H21N3O3S MW 407.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O3S/c1-28-20-9-16(7-8-19(20)26)17-10-21(27)25-13-24(12-15-5-3-2-4-6-15)14-29-22(25)18(17)11-23/h2-9,17,26H,10,12-14H2,1H3InChIKey
UMKTTYDNFNYLPR-UHFFFAOYSA-NSynonyms
3benzyl8(4hydroxy3methoxyphenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
3benzyl8(4hydroxy3methoxyphenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
COC1=C(C=CC(=C1)C2CC(=O)N3CN(CSC3=C2C#N)CC4=CC=CC=C4)O
InChI=1SC22H21N3O3Sc12820916(7819(20)26)171021(27)251324(12155324615)142922(25)18(17)1123h291726H101214H21H3
MFCD10087386
ZINC000020238038
ZINC000020238041
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