Vitas-M small molecule compound

prop-2-en-1-yl 4-(4-chlorophenyl)-5-cyano-6-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-1,4-dihydropyridine-3-carboxylate

Catalog ID
STK543174
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)Cl)C#N)SCC(=O)Nc1ccc(cc1)F

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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 C25H21ClFN3O3S MW 497.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClFN3O3S/c1-3-12-33-25(32)22-15(2)29-24(20(13-28)23(22)16-4-6-17(26)7-5-16)34-14-21(31)30-19-10-8-18(27)9-11-19/h3-11,23,29H,1,12,14H2,2H3,(H,30,31)
InChIKey
XBQSMKCRZMTJIL-UHFFFAOYSA-N
Synonyms
488123-05-3
488123053
allyl4(4chlorophenyl)5cyano6((2((4fluorophenyl)amino)2oxoethyl)thio)2methyl14dihydropyridine3carboxylate
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)F)C#N)C3=CC=C(C=C3)Cl)C(=O)OCC=C
InChI=1SC25H21ClFN3O3Sc13123325(32)2215(2)2924(20(1328)23(22)164617(26)7516)341421(31)301910818(27)91119h3112329H11214H22H3(H3031)
MFCD03289575
prop2en1yl4(4chlorophenyl)5cyano6((2((4fluorophenyl)amino)2oxoethyl)sulfanyl)2methyl14dihydropyridine3carboxylate
PROP2ENYL4(4CHLOROPHENYL)5CYANO6(2(4FLUOROANILINO)2OXOETHYL)SULFANYL2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000020065023
ZINC000020065025

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Available files

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