Vitas-M small molecule compound
8-[4-(benzyloxy)-3-methoxyphenyl]-3-(3-chloro-2-methylphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK827350
SMILES N#CC1=C2SCN(CN2C(=O)CC1c1ccc(c(c1)OC)OCc1ccccc1)c1cccc(c1C)Cl
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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/c1-19-24(30)9-6-10-25(19)32-17-33-28(34)14-22(23(15-31)29(33)37-18-32)21-11-12-26(27(13-21)35-2)36-16-20-7-4-3-5-8-20/h3-13,22H,14,16-18H2,1-2H3InChIKey
JYKOUKQDZZATBQ-UHFFFAOYSA-NSynonyms
3(3chloro2methylphenyl)8(3methoxy4phenylmethoxyphenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
8(4(benzyloxy)3methoxyphenyl)3(3chloro2methylphenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
CC1=C(C=CC=C1Cl)N2CN3C(=O)CC(C(=C3SC2)C#N)C4=CC(=C(C=C4)OCC5=CC=CC=C5)OC
InChI=1SC29H26ClN3O3Sc11924(30)961025(19)32173328(34)1422(23(1531)29(33)371832)21111226(27(1321)352)3616207435820h31322H141618H212H3
MFCD10087667
ZINC000098048433
ZINC000098048434
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