Vitas-M small molecule compound
(8xi,9xi,14xi)-17-({[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]amino}methyl)androstan-17-ol
Catalog ID
STL528124
SMILES COc1cc(Br)cc(c1O)/C=N/CC1(O)CCC2[C@]1(C)CCC1C2CCC2[C@]1(C)CCCC2
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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 C28H40BrNO3 MW 518.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H40BrNO3/c1-26-11-5-4-6-19(26)7-8-21-22(26)9-12-27(2)23(21)10-13-28(27,32)17-30-16-18-14-20(29)15-24(33-3)25(18)31/h14-16,19,21-23,31-32H,4-13,17H2,1-3H3/b30-16+/t19?,21?,22?,23?,26-,27-,28?/m0/s1InChIKey
TVDJZFBATLLPAM-LSHJLXJGSA-NSynonyms
(10S13S)17(((E)(5bromo2hydroxy3methoxybenzylidene)amino)methyl)1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17ol
(8xi9xi14xi)17((((E)(5bromo2hydroxy3methoxyphenyl)methylidene)amino)methyl)androstan17ol
COc1cc(Br)cc(c1O)C=NCC1(O)CCC2(C@)1(C)CCC1C2CCC2(C@)1(C)CCCC2
InChI=1SC28H40BrNO3c1261154619(26)782122(26)91227(2)23(21)101328(2732)173016181420(29)1524(333)25(18)31h14161921233132H41317H213H3b3016+t19?21?22?23?262728?m0s1
MFCD03849920
ZINC000012661689
ZINC000253498217
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