Vitas-M small molecule compound
8-{4-[(4-chlorobenzyl)oxy]phenyl}-3-(4-fluorophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK887016
SMILES N#CC1=C2SCN(CN2C(=O)CC1c1ccc(cc1)OCc1ccc(cc1)Cl)c1ccc(cc1)F
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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/c28-20-5-1-18(2-6-20)15-34-23-11-3-19(4-12-23)24-13-26(33)32-16-31(17-35-27(32)25(24)14-30)22-9-7-21(29)8-10-22/h1-12,24H,13,15-17H2InChIKey
RWIBYHFIIIASTA-UHFFFAOYSA-NSynonyms
8(4((4chlorobenzyl)oxy)phenyl)3(4fluorophenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
8(4((4chlorophenyl)methoxy)phenyl)3(4fluorophenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
C1C(C(=C2N(C1=O)CN(CS2)C3=CC=C(C=C3)F)C#N)C4=CC=C(C=C4)OCC5=CC=C(C=C5)Cl
InChI=1SC27H21ClFN3O2Sc28205118(2620)15342311319(41223)241326(33)321631(173527(32)25(24)1430)229721(29)81022h11224H131517H2
MFCD10574661
ZINC000012251100
ZINC000012251101
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