Vitas-M small molecule compound
4-{[(13E,15S)-15-hydroxy-1,9-dioxoprost-13-en-1-yl]amino}benzoic acid
Catalog ID
STL526330
SMILES CCCCC[C@@H](/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)Nc1ccc(cc1)C(=O)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 C27H39NO5 MW 457.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H39NO5/c1-2-3-6-9-23(29)18-14-20-15-19-25(30)24(20)10-7-4-5-8-11-26(31)28-22-16-12-21(13-17-22)27(32)33/h12-14,16-18,20,23-24,29H,2-11,15,19H2,1H3,(H,28,31)(H,32,33)/b18-14+/t20-,23-,24+/m0/s1InChIKey
CCUUSOQXZDZSLW-HUHVCOMUSA-NSynonyms
956956-22-216396809
4(((13E15S)15hydroxy19dioxoprost13en1yl)amino)benzoicacid
4(7((1~(R)2~(R))2((~(E)3~(S))3hydroxyoct1enyl)5oxocyclopentyl)heptanoylamino)benzoicacid
4(7((1R2R)2((SE)3hydroxyoct1en1yl)5oxocyclopentyl)heptanamido)benzoicacid
956956222
CCCCC(C@@H)(C=C(C@H)1CCC(=O)(C@@H)1CCCCCCC(=O)Nc1ccc(cc1)C(=O)O)O
InChI=1SC27H39NO5c1236923(29)181420151925(30)24(20)1074581126(31)2822161221(131722)27(32)33h1214161820232429H2111519H21H3(H2831)(H3233)b1814+t202324+m0s1
MFCD02059036
ZINC000012659473
ZINC12659473
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