Vitas-M small molecule compound
2-methoxyethyl 6-({2-[(4-bromophenyl)amino]-2-oxoethyl}sulfanyl)-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK886022
SMILES COCCOC(=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 C25H23BrClN3O4S MW 576.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23BrClN3O4S/c1-15-22(25(32)34-12-11-33-2)23(18-5-3-4-6-20(18)27)19(13-28)24(29-15)35-14-21(31)30-17-9-7-16(26)8-10-17/h3-10,23,29H,11-12,14H2,1-2H3,(H,30,31)InChIKey
MGQWRKRLIQFMQD-UHFFFAOYSA-NSynonyms
2methoxyethyl6((2((4bromophenyl)amino)2oxoethyl)sulfanyl)4(2chlorophenyl)5cyano2methyl14dihydropyridine3carboxylate
2methoxyethyl6(2(4bromoanilino)2oxoethyl)sulfanyl4(2chlorophenyl)5cyano2methyl14dihydropyridine3carboxylate
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)Br)C#N)C3=CC=CC=C3Cl)C(=O)OCCOC
InChI=1SC25H23BrClN3O4Sc11522(25(32)341211332)23(18534620(18)27)19(1328)24(2915)351421(31)30179716(26)81017h3102329H111214H212H3(H3031)
MFCD10086563
ZINC000101042453
ZINC000101042456
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