Vitas-M small molecule compound
8-[4-(benzyloxy)-3-methoxyphenyl]-3-(4-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK886971
SMILES N#CC1=C2SCN(CN2C(=O)CC1c1ccc(c(c1)OC)OCc1ccccc1)c1ccc(cc1)OC
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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 C29H27N3O4S MW 513.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O4S/c1-34-23-11-9-22(10-12-23)31-18-32-28(33)15-24(25(16-30)29(32)37-19-31)21-8-13-26(27(14-21)35-2)36-17-20-6-4-3-5-7-20/h3-14,24H,15,17-19H2,1-2H3InChIKey
AWGLNGKIQLXXSD-UHFFFAOYSA-NSynonyms
3(4methoxyphenyl)8(3methoxy4phenylmethoxyphenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
8(4(benzyloxy)3methoxyphenyl)3(4methoxyphenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
COC1=CC=C(C=C1)N2CN3C(=O)CC(C(=C3SC2)C#N)C4=CC(=C(C=C4)OCC5=CC=CC=C5)OC
InChI=1SC29H27N3O4Sc1342311922(101223)31183228(33)1524(25(1630)29(32)371931)2181326(27(1421)352)3617206435720h31424H151719H212H3
MFCD10087669
ZINC000009693537
ZINC000009693538
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