Vitas-M small molecule compound
N-[4-chloro-2-(phenylcarbonyl)phenyl]-2-{[4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
Catalog ID
STK826863
SMILES N#CC1=C(SCC(=O)Nc2ccc(cc2C(=O)c2ccccc2)Cl)NC2=C(C1c1ccc(cc1)Cl)C(=O)CC(C2)(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 C33H27Cl2N3O3S MW 616.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H27Cl2N3O3S/c1-33(2)15-26-30(27(39)16-33)29(19-8-10-21(34)11-9-19)24(17-36)32(38-26)42-18-28(40)37-25-13-12-22(35)14-23(25)31(41)20-6-4-3-5-7-20/h3-14,29,38H,15-16,18H2,1-2H3,(H,37,40)InChIKey
MVZMLWBBQWSUBQ-UHFFFAOYSA-NSynonyms
CC1(CC2=C(C(C(=C(N2)SCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4)C#N)C5=CC=C(C=C5)Cl)C(=O)C1)C
InChI=1SC33H27Cl2N3O3Sc133(2)152630(27(39)1633)29(1981021(34)11919)24(1736)32(3826)421828(40)3725131222(35)1423(25)31(41)206435720h3142938H151618H212H3(H3740)
MFCD10086837
N(2benzoyl4chlorophenyl)2((4(4chlorophenyl)3cyano77dimethyl5oxo1468tetrahydroquinolin2yl)sulfanyl)acetamide
N(4chloro2(phenylcarbonyl)phenyl)2((4(4chlorophenyl)3cyano77dimethyl5oxo145678hexahydroquinolin2yl)sulfanyl)acetamide
ZINC000102808634
ZINC000102808635
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