Vitas-M small molecule compound
methyl N-[(13E,15R)-15-hydroxy-1,9-dioxoprost-13-en-1-yl]-3-nitrotyrosinate
Catalog ID
STL562447
SMILES CCCCC[C@H](/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)NC(C(=O)OC)Cc1ccc(c(c1)[N+](=O)[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 C30H44N2O8 MW 560.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H44N2O8/c1-3-4-7-10-23(33)16-14-22-15-18-27(34)24(22)11-8-5-6-9-12-29(36)31-25(30(37)40-2)19-21-13-17-28(35)26(20-21)32(38)39/h13-14,16-17,20,22-25,33,35H,3-12,15,18-19H2,1-2H3,(H,31,36)/b16-14+/t22-,23+,24+,25?/m0/s1InChIKey
XYWWMPMLCMSXER-GEBAZHDRSA-NSynonyms
16397248
CCCCC(C@H)(C=C(C@H)1CCC(=O)(C@@H)1CCCCCCC(=O)NC(C(=O)OC)Cc1ccc(c(c1)(N+)(=O)(O))O)O
InChI=1SC30H44N2O8c13471023(33)161422151827(34)24(22)1185691229(36)3125(30(37)402)1921131728(35)26(2021)32(38)39h131416172022253335H312151819H212H3(H3136)b1614+t2223+24+25?m0s1
methyl3(4hydroxy3nitrophenyl)2(7((1R2R)2((E3R)3hydroxyoct1enyl)5oxocyclopentyl)heptanoylamino)propanoate
methyl3(4hydroxy3nitrophenyl)2(7((1R2R)2((RE)3hydroxyoct1en1yl)5oxocyclopentyl)heptanamido)propanoate
methylN((13E15R)15hydroxy19dioxoprost13en1yl)3nitrotyrosinate
ZINC000070670164
ZINC000070670165
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