Vitas-M small molecule compound
8-[4-(benzyloxy)phenyl]-3-(3-chloro-4-methylphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK827363
SMILES N#CC1=C2SCN(CN2C(=O)CC1c1ccc(cc1)OCc1ccccc1)c1ccc(c(c1)Cl)C
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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 C28H24ClN3O2S MW 502.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24ClN3O2S/c1-19-7-10-22(13-26(19)29)31-17-32-27(33)14-24(25(15-30)28(32)35-18-31)21-8-11-23(12-9-21)34-16-20-5-3-2-4-6-20/h2-13,24H,14,16-18H2,1H3InChIKey
RLJJZDFJVOKOJA-UHFFFAOYSA-NSynonyms
3(3chloro4methylphenyl)6oxo8(4phenylmethoxyphenyl)2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
8(4(benzyloxy)phenyl)3(3chloro4methylphenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
CC1=C(C=C(C=C1)N2CN3C(=O)CC(C(=C3SC2)C#N)C4=CC=C(C=C4)OCC5=CC=CC=C5)Cl
InChI=1SC28H24ClN3O2Sc11971022(1326(19)29)31173227(33)1424(25(1530)28(32)351831)2181123(12921)3416205324620h21324H141618H21H3
MFCD10087687
ZINC000012251056
ZINC000012251057
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