Vitas-M small molecule compound
prop-2-en-1-yl 6-({2-[(4-bromophenyl)amino]-2-oxoethyl}sulfanyl)-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK886018
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)Nc1ccc(cc1)Br
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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 C25H21BrClN3O3S MW 558.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21BrClN3O3S/c1-3-12-33-25(32)22-15(2)29-24(19(13-28)23(22)18-6-4-5-7-20(18)27)34-14-21(31)30-17-10-8-16(26)9-11-17/h3-11,23,29H,1,12,14H2,2H3,(H,30,31)InChIKey
NIMSGURHUPNCBX-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)Br)C#N)C3=CC=CC=C3Cl)C(=O)OCC=C
InChI=1SC25H21BrClN3O3Sc13123325(32)2215(2)2924(19(1328)23(22)18645720(18)27)341421(31)301710816(26)91117h3112329H11214H22H3(H3031)
MFCD10086556
prop2en1yl6((2((4bromophenyl)amino)2oxoethyl)sulfanyl)4(2chlorophenyl)5cyano2methyl14dihydropyridine3carboxylate
prop2enyl6(2(4bromoanilino)2oxoethyl)sulfanyl4(2chlorophenyl)5cyano2methyl14dihydropyridine3carboxylate
ZINC000101273325
ZINC000101273328
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