Vitas-M small molecule compound
(10R,13S,17S)-17-({[(E)-(5-bromo-2-hydroxyphenyl)methylidene]amino}methyl)-10,13-dimethyl-1,2,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17-ol
Catalog ID
STL528202
SMILES Brc1ccc(c(c1)/C=N/C[C@]1(O)CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CCC1(C2)OCCO1)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 C29H38BrNO4 MW 544.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H38BrNO4/c1-26-11-12-29(34-13-14-35-29)16-20(26)3-5-22-23(26)7-9-27(2)24(22)8-10-28(27,33)18-31-17-19-15-21(30)4-6-25(19)32/h3-4,6,15,17,22-24,32-33H,5,7-14,16,18H2,1-2H3/b31-17+/t22?,23?,24?,26-,27-,28+/m0/s1InChIKey
IAIZGBXRIOZYIU-ZKUNGMQQSA-NSynonyms
(10R13S17S)17((((E)(5bromo2hydroxyphenyl)methylidene)amino)methyl)1013dimethyl1247891011121314151617tetradecahydrospiro(cyclopenta(a)phenanthrene32(13)dioxolan)17ol
(10R13S17S)17(((E)(5bromo2hydroxybenzylidene)amino)methyl)1013dimethyl1247891011121314151617tetradecahydrospiro(cyclopenta(a)phenanthrene32(13)dioxolan)17ol
Brc1ccc(c(c1)C=NC(C@)1(O)CCC2(C@)1(C)CCC1C2CC=C2(C@)1(C)CCC1(C2)OCCO1)O
InChI=1SC29H38BrNO4c126111229(3413143529)1620(26)352223(26)7927(2)24(22)81028(2733)183117191521(30)4625(19)32h346151722243233H57141618H212H3b3117+t22?23?24?262728+m0s1
MFCD03850082
ZINC000070680406
ZINC000253501575
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