Vitas-M small molecule compound
8-[4-(benzyloxy)-3-methoxyphenyl]-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
STK827374
SMILES N#CC1=C2SCN(CN2C(=O)CC1c1ccc(c(c1)OC)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 C29H26ClN3O3S MW 532.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26ClN3O3S/c1-19-8-10-22(13-25(19)30)32-17-33-28(34)14-23(24(15-31)29(33)37-18-32)21-9-11-26(27(12-21)35-2)36-16-20-6-4-3-5-7-20/h3-13,23H,14,16-18H2,1-2H3InChIKey
YUYFJZRXBMDBDL-UHFFFAOYSA-NSynonyms
3(3chloro4methylphenyl)8(3methoxy4phenylmethoxyphenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
8(4(benzyloxy)3methoxyphenyl)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)OC)Cl
InChI=1SC29H26ClN3O3Sc11981022(1325(19)30)32173328(34)1423(24(1531)29(33)371832)2191126(27(1221)352)3616206435720h31323H141618H212H3
MFCD10087705
ZINC000098048439
ZINC000098048440
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