Vitas-M small molecule compound

methyl 5-cyano-4-(4-ethoxyphenyl)-6-({2-[(4-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-hydroxy-3,4-dihydropyridine-3-carboxylate

Catalog ID
STK589397
SMILES CCOc1ccc(cc1)C1C(=C(SCC(=O)Nc2ccc(cc2)CC)N=C(C1C(=O)OC)O)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 C26H27N3O5S MW 493.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O5S/c1-4-16-6-10-18(11-7-16)28-21(30)15-35-25-20(14-27)22(23(24(31)29-25)26(32)33-3)17-8-12-19(13-9-17)34-5-2/h6-13,22-23H,4-5,15H2,1-3H3,(H,28,30)(H,29,31)
InChIKey
OTCNWQAHEOWDKA-UHFFFAOYSA-N
Synonyms
799790-93-5
CCC1=CC=C(C=C1)NC(=O)CSC2=C(C(C(C(=O)N2)C(=O)OC)C3=CC=C(C=C3)OCC)C#N
InChI=1SC26H27N3O5Sc141661018(11716)2821(30)15352520(1427)22(23(24(31)2925)26(32)333)1781219(13917)3452h6132223H4515H213H3(H2830)(H2931)
methyl5cyano4(4ethoxyphenyl)6((2((4ethylphenyl)amino)2oxoethyl)sulfanyl)2hydroxy34dihydropyridine3carboxylate
METHYL5CYANO4(4ETHOXYPHENYL)6(2(4ETHYLANILINO)2OXOETHYL)SULFANYL2OXO34DIHYDRO1HPYRIDINE3CARBOXYLATE
MFCD07211151
ZINC000009320147
ZINC000009320152

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Available files

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