Vitas-M small molecule compound
prop-2-en-1-yl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-[(2-oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK887246
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)Nc1ccccc1C(F)(F)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 C26H21ClF3N3O3S MW 547.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21ClF3N3O3S/c1-3-12-36-25(35)22-15(2)32-24(17(13-31)23(22)16-8-4-6-10-19(16)27)37-14-21(34)33-20-11-7-5-9-18(20)26(28,29)30/h3-11,23,32H,1,12,14H2,2H3,(H,33,34)InChIKey
WUUIQGAHLBAKGC-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=CC=C2C(F)(F)F)C#N)C3=CC=CC=C3Cl)C(=O)OCC=C
InChI=1SC26H21ClF3N3O3Sc13123625(35)2215(2)3224(17(1331)23(22)168461019(16)27)371421(34)33201175918(20)26(2829)30h3112332H11214H22H3(H3334)
MFCD10088094
prop2en1yl4(2chlorophenyl)5cyano2methyl6((2oxo2((2(trifluoromethyl)phenyl)amino)ethyl)sulfanyl)14dihydropyridine3carboxylate
prop2enyl4(2chlorophenyl)5cyano2methyl6(2oxo2(2(trifluoromethyl)anilino)ethyl)sulfanyl14dihydropyridine3carboxylate
ZINC000101273347
ZINC000101273348
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