Vitas-M small molecule compound
methyl N-[(13E,15R)-15-hydroxy-1,9-dioxoprost-13-en-1-yl]-O-methyl-3-nitrotyrosinate
Catalog ID
STL562847
SMILES CCCCC[C@H](/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)NC(C(=O)OC)Cc1ccc(c(c1)[N+](=O)[O-])OC)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 C31H46N2O8 MW 574.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H46N2O8/c1-4-5-8-11-24(34)17-15-23-16-18-28(35)25(23)12-9-6-7-10-13-30(36)32-26(31(37)41-3)20-22-14-19-29(40-2)27(21-22)33(38)39/h14-15,17,19,21,23-26,34H,4-13,16,18,20H2,1-3H3,(H,32,36)/b17-15+/t23-,24+,25+,26?/m0/s1InChIKey
QUHKMDJLJIBVDI-YWCGWKTISA-NSynonyms
16397213
CCCCC(C@H)(C=C(C@H)1CCC(=O)(C@@H)1CCCCCCC(=O)NC(C(=O)OC)Cc1ccc(c(c1)(N+)(=O)(O))OC)O
InChI=1SC31H46N2O8c14581124(34)171523161828(35)25(23)12967101330(36)3226(31(37)413)2022141929(402)27(2122)33(38)39h1415171921232634H413161820H213H3(H3236)b1715+t2324+25+26?m0s1
methyl2(7((1R2R)2((E3R)3hydroxyoct1enyl)5oxocyclopentyl)heptanoylamino)3(4methoxy3nitrophenyl)propanoate
methyl2(7((1R2R)2((RE)3hydroxyoct1en1yl)5oxocyclopentyl)heptanamido)3(4methoxy3nitrophenyl)propanoate
methylN((13E15R)15hydroxy19dioxoprost13en1yl)Omethyl3nitrotyrosinate
ZINC000070670155
ZINC000070670156
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