Vitas-M small molecule compound

ethyl 6-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-5-cyano-2-phenyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate

Catalog ID
STK886922
SMILES CCOC(=O)C1=C(NC(=C(C1c1cccs1)C#N)SCC(=O)NC(C)(C)C)c1ccccc1

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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 C25H27N3O3S2 MW 481.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O3S2/c1-5-31-24(30)21-20(18-12-9-13-32-18)17(14-26)23(33-15-19(29)28-25(2,3)4)27-22(21)16-10-7-6-8-11-16/h6-13,20,27H,5,15H2,1-4H3,(H,28,29)
InChIKey
DCTZQHJGZZIJCB-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(NC(=C(C1C2=CC=CS2)C#N)SCC(=O)NC(C)(C)C)C3=CC=CC=C3
ethyl6((2(tertbutylamino)2oxoethyl)sulfanyl)5cyano2phenyl4(thiophen2yl)14dihydropyridine3carboxylate
ethyl6(2(tertbutylamino)2oxoethyl)sulfanyl5cyano2phenyl4thiophen2yl14dihydropyridine3carboxylate
InChI=1SC25H27N3O3S2c153124(30)2120(18129133218)17(1426)23(331519(29)2825(23)4)2722(21)16107681116h6132027H515H214H3(H2829)
MFCD10087593
ZINC000020348255
ZINC000020348256

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.