Vitas-M small molecule compound
2-[(2-carboxyphenyl)sulfanyl]-5-({3-[4-(octadecyloxy)phenyl]-3-oxopropanoyl}amino)benzoic acid
Catalog ID
STK367771
SMILES CCCCCCCCCCCCCCCCCCOc1ccc(cc1)C(=O)CC(=O)Nc1ccc(c(c1)C(=O)O)Sc1ccccc1C(=O)O
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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 C41H53NO7S MW 703.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H53NO7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28-49-33-25-22-31(23-26-33)36(43)30-39(44)42-32-24-27-38(35(29-32)41(47)48)50-37-21-18-17-20-34(37)40(45)46/h17-18,20-27,29H,2-16,19,28,30H2,1H3,(H,42,44)(H,45,46)(H,47,48)InChIKey
VOLPSJDJWOOBOA-UHFFFAOYSA-NSynonyms
2((2carboxyphenyl)sulfanyl)5((3(4(octadecyloxy)phenyl)3oxopropanoyl)amino)benzoicacid
2(2CARBOXYPHENYL)SULFANYL5((3(4OCTADECOXYPHENYL)3OXOPROPANOYL)AMINO)BENZOICACID
CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)CC(=O)NC2=CC(=C(C=C2)SC3=CC=CC=C3C(=O)O)C(=O)O
InChI=1SC41H53NO7Sc1234567891011121314151619284933252231(232633)36(43)3039(44)4232242738(35(2932)41(47)48)50372118172034(37)40(45)46h1718202729H216192830H21H3(H4244)(H4546)(H4748)
MFCD00309070
ZINC000150391467
ZINC150391467
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