Vitas-M small molecule compound
8-{4-[(4-chlorobenzyl)oxy]phenyl}-3-(2,4-dimethoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK827397
SMILES N#CC1=C2SCN(CN2C(=O)CC1c1ccc(cc1)OCc1ccc(cc1)Cl)c1ccc(cc1OC)OC
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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 C29H26ClN3O4S MW 548.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26ClN3O4S/c1-35-23-11-12-26(27(13-23)36-2)32-17-33-28(34)14-24(25(15-31)29(33)38-18-32)20-5-9-22(10-6-20)37-16-19-3-7-21(30)8-4-19/h3-13,24H,14,16-18H2,1-2H3InChIKey
XAZUHDJRWZFONB-UHFFFAOYSA-NSynonyms
8(4((4chlorobenzyl)oxy)phenyl)3(24dimethoxyphenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
8(4((4chlorophenyl)methoxy)phenyl)3(24dimethoxyphenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
COC1=CC(=C(C=C1)N2CN3C(=O)CC(C(=C3SC2)C#N)C4=CC=C(C=C4)OCC5=CC=C(C=C5)Cl)OC
InChI=1SC29H26ClN3O4Sc13523111226(27(1323)362)32173328(34)1424(25(1531)29(33)381832)205922(10620)3716193721(30)8419h31324H141618H212H3
MFCD10087757
ZINC000096933946
ZINC000096933947
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