Vitas-M small molecule compound
8-[4-(benzyloxy)phenyl]-3-(4-ethylphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK827360
SMILES N#CC1=C2SCN(CN2C(=O)CC1c1ccc(cc1)OCc1ccccc1)c1ccc(cc1)CC
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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 C29H27N3O2S MW 481.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O2S/c1-2-21-8-12-24(13-9-21)31-19-32-28(33)16-26(27(17-30)29(32)35-20-31)23-10-14-25(15-11-23)34-18-22-6-4-3-5-7-22/h3-15,26H,2,16,18-20H2,1H3InChIKey
SDURVMNSDHGVBJ-UHFFFAOYSA-NSynonyms
3(4ethylphenyl)6oxo8(4phenylmethoxyphenyl)2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
8(4(benzyloxy)phenyl)3(4ethylphenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
CCC1=CC=C(C=C1)N2CN3C(=O)CC(C(=C3SC2)C#N)C4=CC=C(C=C4)OCC5=CC=CC=C5
InChI=1SC29H27N3O2Sc122181224(13921)31193228(33)1626(27(1730)29(32)352031)23101425(151123)3418226435722h31526H2161820H21H3
MFCD10087682
ZINC000012251052
ZINC000012251053
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