Vitas-M small molecule compound
prop-2-en-1-yl 5-cyano-6-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK887282
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccco1)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 C23H27N3O4S MW 441.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N3O4S/c1-3-11-30-23(28)20-15(2)25-22(17(13-24)21(20)18-10-7-12-29-18)31-14-19(27)26-16-8-5-4-6-9-16/h3,7,10,12,16,21,25H,1,4-6,8-9,11,14H2,2H3,(H,26,27)InChIKey
LWOOODNNKAWLKJ-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=C(N1)SCC(=O)NC2CCCCC2)C#N)C3=CC=CO3)C(=O)OCC=C
InChI=1SC23H27N3O4Sc13113023(28)2015(2)2522(17(1324)21(20)18107122918)311419(27)26168546916h371012162125H146891114H22H3(H2627)
MFCD10088144
prop2en1yl5cyano6((2(cyclohexylamino)2oxoethyl)sulfanyl)4(furan2yl)2methyl14dihydropyridine3carboxylate
prop2enyl5cyano6(2(cyclohexylamino)2oxoethyl)sulfanyl4(furan2yl)2methyl14dihydropyridine3carboxylate
ZINC000020034802
ZINC000020034806
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