Vitas-M small molecule compound
8-[4-(benzyloxy)phenyl]-3-(4-ethoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK886992
SMILES CCOc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1ccc(cc1)OCc1ccccc1
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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 C29H27N3O3S MW 497.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O3S/c1-2-34-24-14-10-23(11-15-24)31-19-32-28(33)16-26(27(17-30)29(32)36-20-31)22-8-12-25(13-9-22)35-18-21-6-4-3-5-7-21/h3-15,26H,2,16,18-20H2,1H3InChIKey
ZMWFTZGQECVNDJ-UHFFFAOYSA-NSynonyms
3(4ethoxyphenyl)6oxo8(4phenylmethoxyphenyl)2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
8(4(benzyloxy)phenyl)3(4ethoxyphenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
CCOC1=CC=C(C=C1)N2CN3C(=O)CC(C(=C3SC2)C#N)C4=CC=C(C=C4)OCC5=CC=CC=C5
InChI=1SC29H27N3O3Sc123424141023(111524)31193228(33)1626(27(1730)29(32)362031)2281225(13922)3518216435721h31526H2161820H21H3
MFCD10087714
ZINC000012251070
ZINC000012251071
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