Vitas-M small molecule compound
3-benzyl-8-(5-bromo-2-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK887179
SMILES N#CC1=C2SCN(CN2C(=O)CC1c1cc(Br)ccc1OC)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 C22H20BrN3O2S MW 470.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20BrN3O2S/c1-28-20-8-7-16(23)9-18(20)17-10-21(27)26-13-25(12-15-5-3-2-4-6-15)14-29-22(26)19(17)11-24/h2-9,17H,10,12-14H2,1H3InChIKey
ZZTWVMVMPCOEDL-UHFFFAOYSA-NSynonyms
3benzyl8(5bromo2methoxyphenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
3benzyl8(5bromo2methoxyphenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
COC1=C(C=C(C=C1)Br)C2CC(=O)N3CN(CSC3=C2C#N)CC4=CC=CC=C4
InChI=1SC22H20BrN3O2Sc128208716(23)918(20)171021(27)261325(12155324615)142922(26)19(17)1124h2917H101214H21H3
MFCD10088001
ZINC000020238325
ZINC000020238328
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