Vitas-M small molecule compound

methyl 5-cyano-4-(4-ethoxyphenyl)-2-oxo-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-1,2,3,4-tetrahydropyridine-3-carboxylate

Catalog ID
STK544731
SMILES CCOc1ccc(cc1)C1C(C(=O)OC)C(=O)NC(=C1C#N)SCC(=O)Nc1c(C)cc(cc1C)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 C27H29N3O5S MW 507.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O5S/c1-6-35-19-9-7-18(8-10-19)22-20(13-28)26(30-25(32)23(22)27(33)34-5)36-14-21(31)29-24-16(3)11-15(2)12-17(24)4/h7-12,22-23H,6,14H2,1-5H3,(H,29,31)(H,30,32)
InChIKey
XTBIAGFVIRDFPV-UHFFFAOYSA-N
Synonyms
488716-16-1
488716161
CCOC1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)SCC(=O)NC3=C(C=C(C=C3C)C)C)C(=O)OC
InChI=1SC27H29N3O5Sc1635199718(81019)2220(1328)26(3025(32)23(22)27(33)345)361421(31)292416(3)1115(2)1217(24)4h7122223H614H215H3(H2931)(H3032)
methyl5cyano4(4ethoxyphenyl)2oxo6((2oxo2((246trimethylphenyl)amino)ethyl)sulfanyl)1234tetrahydropyridine3carboxylate
METHYL5CYANO4(4ETHOXYPHENYL)2OXO6(2OXO2(246TRIMETHYLANILINO)ETHYL)SULFANYL34DIHYDRO1HPYRIDINE3CARBOXYLATE
methyl5cyano4(4ethoxyphenyl)6((2(mesitylamino)2oxoethyl)thio)2oxo1234tetrahydropyridine3carboxylate
MFCD03291004
ZINC000009088288
ZINC000009088799

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Available files

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