Vitas-M small molecule compound
(10R,13S,17S)-17-({[(E)-(3,5-dichloro-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
STL528129
SMILES Clc1cc(/C=N/C[C@]2(O)CCC3[C@]2(C)CCC2C3CC=C3[C@]2(C)CCC2(C3)OCCO2)c(c(c1)Cl)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 C29H37Cl2NO4 MW 534.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H37Cl2NO4/c1-26-9-10-29(35-11-12-36-29)15-19(26)3-4-21-22(26)5-7-27(2)23(21)6-8-28(27,34)17-32-16-18-13-20(30)14-24(31)25(18)33/h3,13-14,16,21-23,33-34H,4-12,15,17H2,1-2H3/b32-16+/t21?,22?,23?,26-,27-,28+/m0/s1InChIKey
IMNYBTVHQUPUHM-FCLYPYDKSA-NSynonyms
(10R13S17S)17((((E)(35dichloro2hydroxyphenyl)methylidene)amino)methyl)1013dimethyl1247891011121314151617tetradecahydrospiro(cyclopenta(a)phenanthrene32(13)dioxolan)17ol
(10R13S17S)17(((E)(35dichloro2hydroxybenzylidene)amino)methyl)1013dimethyl1247891011121314151617tetradecahydrospiro(cyclopenta(a)phenanthrene32(13)dioxolan)17ol
Clc1cc(C=NC(C@)2(O)CCC3(C@)2(C)CCC2C3CC=C3(C@)2(C)CCC2(C3)OCCO2)c(c(c1)Cl)O
InChI=1SC29H37Cl2NO4c12691029(3511123629)1519(26)342122(26)5727(2)23(21)6828(2734)173216181320(30)1424(31)25(18)33h313141621233334H4121517H212H3b3216+t21?22?23?262728+m0s1
MFCD03849954
ZINC000008739269
ZINC000253501578
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