Vitas-M small molecule compound

ethyl (2R,3R,4R)-5-cyano-6-{[2-(cyclopropylamino)-2-oxoethyl]sulfanyl}-2-hydroxy-2-methyl-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyridine-3-carboxylate

Catalog ID
STK754126
SMILES CCOC(=O)[C@@H]1[C@@H](c2cccs2)C(=C(N[C@]1(C)O)SCC(=O)NC1CC1)C#N

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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 C19H23N3O4S2 MW 421.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23N3O4S2/c1-3-26-18(24)16-15(13-5-4-8-27-13)12(9-20)17(22-19(16,2)25)28-10-14(23)21-11-6-7-11/h4-5,8,11,15-16,22,25H,3,6-7,10H2,1-2H3,(H,21,23)/t15-,16+,19-/m1/s1
InChIKey
OKPJBOHOSBTJML-JTDSTZFVSA-N
Synonyms

CCOC(=O)(C@@H)1(C@@H)(c2cccs2)C(=C(N(C@)1(C)O)SCC(=O)NC1CC1)C#N
CCOC(=O)C1C(C(=C(NC1(C)O)SCC(=O)NC2CC2)C#N)C3=CC=CS3
ethyl(2R3R4R)5cyano6((2(cyclopropylamino)2oxoethyl)sulfanyl)2hydroxy2methyl4(thiophen2yl)1234tetrahydropyridine3carboxylate
ETHYL(2R3R4R)5CYANO6(2(CYCLOPROPYLAMINO)2OXOETHYL)SULFANYL2HYDROXY2METHYL4THIOPHEN2YL34DIHYDRO1HPYRIDINE3CARBOXYLATE
InChI=1SC19H23N3O4S2c132618(24)1615(135482713)12(920)17(2219(162)25)281014(23)21116711h4581115162225H36710H212H3(H2123)t1516+19m1s1
MFCD13372065
ZINC000022172286
ZINC22172286

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Available files

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