Vitas-M small molecule compound
8-{4-[(4-chlorobenzyl)oxy]phenyl}-3-(2-fluorophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK887024
SMILES N#CC1=C2SCN(CN2C(=O)CC1c1ccc(cc1)OCc1ccc(cc1)Cl)c1ccccc1F
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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 C27H21ClFN3O2S MW 506.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21ClFN3O2S/c28-20-9-5-18(6-10-20)15-34-21-11-7-19(8-12-21)22-13-26(33)32-16-31(17-35-27(32)23(22)14-30)25-4-2-1-3-24(25)29/h1-12,22H,13,15-17H2InChIKey
YQIKWZGHMRFLDT-UHFFFAOYSA-NSynonyms
8(4((4chlorobenzyl)oxy)phenyl)3(2fluorophenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
8(4((4chlorophenyl)methoxy)phenyl)3(2fluorophenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
C1C(C(=C2N(C1=O)CN(CS2)C3=CC=CC=C3F)C#N)C4=CC=C(C=C4)OCC5=CC=C(C=C5)Cl
InChI=1SC27H21ClFN3O2Sc28209518(61020)15342111719(81221)221326(33)321631(173527(32)23(22)1430)25421324(25)29h11222H131517H2
MFCD10087761
ZINC000012251110
ZINC000012251111
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