Vitas-M small molecule compound
ethyl 4-(2-chlorophenyl)-5-cyano-6-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK886003
SMILES CCOC(=O)C1=C(NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)Nc1ccc(cc1)F)c1ccccc1
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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 C29H23ClFN3O3S MW 548.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23ClFN3O3S/c1-2-37-29(36)26-25(21-10-6-7-11-23(21)30)22(16-32)28(34-27(26)18-8-4-3-5-9-18)38-17-24(35)33-20-14-12-19(31)13-15-20/h3-15,25,34H,2,17H2,1H3,(H,33,35)InChIKey
XYDVRQLVUSDHRZ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C#N)SCC(=O)NC3=CC=C(C=C3)F)C4=CC=CC=C4
ethyl4(2chlorophenyl)5cyano6((2((4fluorophenyl)amino)2oxoethyl)sulfanyl)2phenyl14dihydropyridine3carboxylate
ethyl4(2chlorophenyl)5cyano6(2(4fluoroanilino)2oxoethyl)sulfanyl2phenyl14dihydropyridine3carboxylate
InChI=1SC29H23ClFN3O3Sc123729(36)2625(2110671123(21)30)22(1632)28(3427(26)188435918)381724(35)3320141219(31)131520h3152534H217H21H3(H3335)
MFCD10086540
ZINC000101304933
ZINC000101304939
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