Vitas-M small molecule compound
(4R)-5-acetyl-2-[(2-bromobenzyl)sulfanyl]-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile
Catalog ID
STK537059
SMILES N#CC1=C(SCc2ccccc2Br)NC(=C([C@H]1c1ccccc1[N+](=O)[O-])C(=O)C)C
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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 C22H18BrN3O3S MW 484.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18BrN3O3S/c1-13-20(14(2)27)21(16-8-4-6-10-19(16)26(28)29)17(11-24)22(25-13)30-12-15-7-3-5-9-18(15)23/h3-10,21,25H,12H2,1-2H3/t21-/m0/s1InChIKey
IAFHQFFNDZSUGP-NRFANRHFSA-NSynonyms
305383-69-1(4R)5acetyl2((2bromobenzyl)sulfanyl)6methyl4(2nitrophenyl)14dihydropyridine3carbonitrile
(4R)5ACETYL2((2BROMOPHENYL)METHYLSULFANYL)6METHYL4(2NITROPHENYL)14DIHYDROPYRIDINE3CARBONITRILE
(R)5acetyl2((2bromobenzyl)thio)6methyl4(2nitrophenyl)14dihydropyridine3carbonitrile
305383691
CC1=C(C(C(=C(N1)SCC2=CC=CC=C2Br)C#N)C3=CC=CC=C3(N+)(=O)(O))C(=O)C
InChI=1SC22H18BrN3O3Sc11320(14(2)27)21(168461019(16)26(28)29)17(1124)22(2513)301215735918(15)23h3102125H12H212H3t21m0s1
MFCD18241677
N#CC1=C(SCc2ccccc2Br)NC(=C((C@H)1c1ccccc1(N+)(=O)(O))C(=O)C)C
ZINC000006137132
ZINC06137132
ZINC6137132
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