Vitas-M small molecule compound
2-(3,4-dimethylphenyl)-N-{3-[({[2-(3,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)methyl]-3,5,5-trimethylcyclohexyl}quinoline-4-carboxamide
Catalog ID
STK433176
SMILES Cc1cc(ccc1C)c1nc2ccccc2c(c1)C(=O)NCC1(C)CC(NC(=O)c2cc(nc3c2cccc3)c2ccc(c(c2)C)C)CC(C1)(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 C46H48N4O2 MW 688.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C46H48N4O2/c1-28-16-18-32(20-30(28)3)41-22-37(35-12-8-10-14-39(35)49-41)43(51)47-27-46(7)25-34(24-45(5,6)26-46)48-44(52)38-23-42(33-19-17-29(2)31(4)21-33)50-40-15-11-9-13-36(38)40/h8-23,34H,24-27H2,1-7H3,(H,47,51)(H,48,52)InChIKey
WNYCSIDBCPUPJU-UHFFFAOYSA-NSynonyms
(2(34DIMETHYLPHENYL)(4QUINOLYL))N(5(((2(34DIMETHYLPHENYL)(4QUINOLYL))CARBONYLAMINO)METHYL)335TRIMETHYLCYCLOHEXYL)CARBOXAMIDE
2(34DIMETHYLPHENYL)N((5((2(34DIMETHYLPHENYL)QUINOLINE4CARBONYL)AMINO)133TRIMETHYLCYCLOHEXYL)METHYL)QUINOLINE4CARBOXAMIDE
2(34dimethylphenyl)N(3((((2(34dimethylphenyl)quinolin4yl)carbonyl)amino)methyl)355trimethylcyclohexyl)quinoline4carboxamide
CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4(CC(CC(C4)(C)C)NC(=O)C5=CC(=NC6=CC=CC=C65)C7=CC(=C(C=C7)C)C)C)C
InChI=1SC46H48N4O2c128161832(2030(28)3)412237(35128101439(35)4941)43(51)472746(7)2534(2445(56)2646)4844(52)382342(33191729(2)31(4)2133)5040151191336(38)40h82334H2427H217H3(H4751)(H4852)
MFCD03403793
ZINC000097949246
ZINC000097949249
Check stock
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Check stock on Vitas-MAvailable files
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