Vitas-M small molecule compound
dimethyl 5-({[4-chloro-3-({2-chloro-3-[2-(octadecyloxy)phenyl]-3-oxopropanoyl}amino)phenyl]sulfonyl}amino)benzene-1,3-dicarboxylate
Catalog ID
STK367436
SMILES CCCCCCCCCCCCCCCCCCOc1ccccc1C(=O)C(C(=O)Nc1cc(ccc1Cl)S(=O)(=O)Nc1cc(cc(c1)C(=O)OC)C(=O)OC)Cl
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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 C43H56Cl2N2O9S MW 847.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C43H56Cl2N2O9S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26-56-38-23-20-19-22-35(38)40(48)39(45)41(49)46-37-30-34(24-25-36(37)44)57(52,53)47-33-28-31(42(50)54-2)27-32(29-33)43(51)55-3/h19-20,22-25,27-30,39,47H,4-18,21,26H2,1-3H3,(H,46,49)InChIKey
BSRSTPOVPHILDP-UHFFFAOYSA-NSynonyms
CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1C(=O)C(C(=O)NC2=C(C=CC(=C2)S(=O)(=O)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC)Cl)Cl
dimethyl5(((4chloro3((2chloro3(2(octadecyloxy)phenyl)3oxopropanoyl)amino)phenyl)sulfonyl)amino)benzene13dicarboxylate
DIMETHYL5((4CHLORO3((2CHLORO3(2OCTADECOXYPHENYL)3OXOPROPANOYL)AMINO)PHENYL)SULFONYLAMINO)BENZENE13DICARBOXYLATE
InChI=1SC43H56Cl2N2O9Sc1456789101112131415161718212656382320192235(38)40(48)39(45)41(49)46373034(242536(37)44)57(5253)47332831(42(50)542)2732(2933)43(51)553h1920222527303947H4182126H213H3(H4649)
METHYL5(((4CHLORO3(2CHLORO3(2OCTADECYLOXYPHENYL)3OXOPROPANOYLAMINO)PHENYL)SULFONYL)AMINO)3(METHOXYCARBONYL)BENZOATE
MFCD00308949
ZINC000150391152
ZINC000150391154
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