Vitas-M small molecule compound
(8xi,9xi,14xi)-17-[(1S)-1-(5-methylpiperidin-2-yl)ethyl]androst-5-ene-3,16-diol
Catalog ID
STL564452
SMILES CC1CCC(NC1)[C@H](C1C(O)CC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CCC(C2)O)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 C27H45NO2 MW 415.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H45NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,28-30H,5,7-15H2,1-4H3/t16?,17-,19?,20?,21?,22?,23?,24?,25?,26+,27+/m1/s1InChIKey
IRRHFODGOMSPEE-YIZDWIATSA-NSynonyms
(10R13S)1013dimethyl17((1S)1(5methylpiperidin2yl)ethyl)234789111214151617dodecahydro1Hcyclopenta(a)phenanthrene316diol
(3S8S10R13S16R17R)1013dimethyl17((S)1((2R5R)5methylpiperidin2yl)ethyl)2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthrene316diol
(8xi9xi14xi)17((1S)1(5methylpiperidin2yl)ethyl)androst5ene316diol
23793332
C(C@@H)1CC(C@@H)(NC1)(C@H)((C@H)1(C@H)(O)CC2(C@)1(C)CCC1(C@H)2CC=C2(C@)1(C)CC(C@@H)(C2)O)C
InChI=1SC27H45NO2c1165823(281516)17(2)2524(30)14222076181319(29)91126(183)21(20)101227(2225)4h6161719252830H5715H214H3t16?1719?20?21?22?23?24?25?26+27+m1s1
MFCD32651475
ZINC001848443608
ZINC001848443611
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