Vitas-M small molecule compound
8-[4-(benzyloxy)-3-methoxyphenyl]-3-(4-methylphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK886969
SMILES N#CC1=C2SCN(CN2C(=O)CC1c1ccc(c(c1)OC)OCc1ccccc1)c1ccc(cc1)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 C29H27N3O3S MW 497.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O3S/c1-20-8-11-23(12-9-20)31-18-32-28(33)15-24(25(16-30)29(32)36-19-31)22-10-13-26(27(14-22)34-2)35-17-21-6-4-3-5-7-21/h3-14,24H,15,17-19H2,1-2H3InChIKey
PDEVAVWXFDETNC-UHFFFAOYSA-NSynonyms
8(3methoxy4phenylmethoxyphenyl)3(4methylphenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
8(4(benzyloxy)3methoxyphenyl)3(4methylphenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
CC1=CC=C(C=C1)N2CN3C(=O)CC(C(=C3SC2)C#N)C4=CC(=C(C=C4)OCC5=CC=CC=C5)OC
InChI=1SC29H27N3O3Sc12081123(12920)31183228(33)1524(25(1630)29(32)361931)22101326(27(1422)342)3517216435721h31424H151719H212H3
MFCD10087666
ZINC000009693533
ZINC000009693534
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