Vitas-M small molecule compound
prop-2-en-1-yl 6-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK886032
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccccc1)C#N)SCC(=O)NC(C)(C)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 C23H27N3O3S MW 425.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N3O3S/c1-6-12-29-22(28)19-15(2)25-21(30-14-18(27)26-23(3,4)5)17(13-24)20(19)16-10-8-7-9-11-16/h6-11,20,25H,1,12,14H2,2-5H3,(H,26,27)InChIKey
JNXYOESAMGURON-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=C(N1)SCC(=O)NC(C)(C)C)C#N)C2=CC=CC=C2)C(=O)OCC=C
InChI=1SC23H27N3O3Sc16122922(28)1915(2)2521(301418(27)2623(34)5)17(1324)20(19)16108791116h6112025H11214H225H3(H2627)
MFCD10086573
prop2en1yl6((2(tertbutylamino)2oxoethyl)sulfanyl)5cyano2methyl4phenyl14dihydropyridine3carboxylate
prop2enyl6(2(tertbutylamino)2oxoethyl)sulfanyl5cyano2methyl4phenyl14dihydropyridine3carboxylate
ZINC000020347833
ZINC000020347834
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