Vitas-M small molecule compound
(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl pyridine-3-carboxylate
Catalog ID
STL566349
SMILES O=C1CC[C@]2(C(=C1)CCC1C2C(O)C[C@]2(C1CC[C@]2(O)C(=O)COC(=O)c1cccnc1)C)C
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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 C27H33NO6 MW 467.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33NO6/c1-25-9-7-18(29)12-17(25)5-6-19-20-8-10-27(33,26(20,2)13-21(30)23(19)25)22(31)15-34-24(32)16-4-3-11-28-14-16/h3-4,11-12,14,19-21,23,30,33H,5-10,13,15H2,1-2H3/t19?,20?,21?,23?,25-,26-,27-/m0/s1InChIKey
WKLRZGYAAPJBIA-KBKARFJSSA-NSynonyms
(2((10R13S17R)1117dihydroxy1013dimethyl3oxo267891112141516decahydro1Hcyclopenta(a)phenanthren17yl)2oxoethyl)pyridine3carboxylate
(8xi9xi14xi)1117dihydroxy320dioxopregn4en21ylpyridine3carboxylate
145705602
2((8S9S10R11S13S14S17R)1117dihydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethylnicotinate
InChI=1SC27H33NO6c1259718(29)1217(25)56192081027(3326(202)1321(30)23(19)25)22(31)153424(32)164311281416h341112141921233033H5101315H212H3t19?20?21?23?252627m0s1
O=C1CC(C@)2(C(=C1)CC(C@@H)1(C@@H)2(C@@H)(O)C(C@)2((C@H)1CC(C@)2(O)C(=O)COC(=O)c1cccnc1)C)C
ZINC001848443861
ZINC001848443864
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