Vitas-M small molecule compound
8-{4-[(2-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
STK887001
SMILES N#CC1=C2SCN(CN2C(=O)CC1c1ccc(cc1)OCc1ccccc1Cl)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/c1-35-22-11-12-26(27(13-22)36-2)32-17-33-28(34)14-23(24(15-31)29(33)38-18-32)19-7-9-21(10-8-19)37-16-20-5-3-4-6-25(20)30/h3-13,23H,14,16-18H2,1-2H3InChIKey
ZIEGHHHULVXFFB-UHFFFAOYSA-NSynonyms
8(4((2chlorobenzyl)oxy)phenyl)3(24dimethoxyphenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
8(4((2chlorophenyl)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=CC=C5Cl)OC
InChI=1SC29H26ClN3O4Sc13522111226(27(1322)362)32173328(34)1423(24(1531)29(33)381832)197921(10819)371620534625(20)30h31323H141618H212H3
MFCD10087723
ZINC000098048441
ZINC000098048442
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