Vitas-M small molecule compound
prop-2-en-1-yl 5-cyano-2-methyl-6-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4-phenyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK827588
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccccc1)C#N)SCC(=O)Nc1ccccc1
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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 C25H23N3O3S MW 445.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O3S/c1-3-14-31-25(30)22-17(2)27-24(20(15-26)23(22)18-10-6-4-7-11-18)32-16-21(29)28-19-12-8-5-9-13-19/h3-13,23,27H,1,14,16H2,2H3,(H,28,29)InChIKey
TWLIDFPROFBHRZ-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=CC=C2)C#N)C3=CC=CC=C3)C(=O)OCC=C
InChI=1SC25H23N3O3Sc13143125(30)2217(2)2724(20(1526)23(22)18106471118)321621(29)2819128591319h3132327H11416H22H3(H2829)
MFCD10088104
prop2en1yl5cyano2methyl6((2oxo2(phenylamino)ethyl)sulfanyl)4phenyl14dihydropyridine3carboxylate
prop2enyl6(2anilino2oxoethyl)sulfanyl5cyano2methyl4phenyl14dihydropyridine3carboxylate
ZINC000020348488
ZINC000020348489
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