Vitas-M small molecule compound
(8xi,9xi,14xi,17beta)-3-methoxy-17-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]methyl}androst-4-en-17-ol
Catalog ID
STL512325
SMILES COC1CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@@]2(O)CSc1nccn1C)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 C25H38N2O2S MW 430.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H38N2O2S/c1-23-10-7-18(29-4)15-17(23)5-6-19-20(23)8-11-24(2)21(19)9-12-25(24,28)16-30-22-26-13-14-27(22)3/h13-15,18-21,28H,5-12,16H2,1-4H3/t18?,19?,20?,21?,23-,24-,25+/m0/s1InChIKey
BNOQCYMVNKKTQV-RYSXOVRNSA-NSynonyms
(10~(R)13~(S)17~(S))3methoxy1013dimethyl17((1methylimidazol2yl)sulfanylmethyl)12367891112141516dodecahydrocyclopenta(a)phenanthren17ol
(10R13S17S)3methoxy1013dimethyl17(((1methyl1Himidazol2yl)thio)methyl)2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17ol
(8xi9xi14xi17beta)3methoxy17(((1methyl1Himidazol2yl)sulfanyl)methyl)androst4en17ol
16396892
COC1CC(C@)2(C(=C1)CCC1C2CC(C@)2(C1CC(C@@)2(O)CSc1nccn1C)C)C
InChI=1SC25H38N2O2Sc12310718(294)1517(23)561920(23)81124(2)21(19)91225(2428)16302226131427(22)3h1315182128H51216H214H3t18?19?20?21?232425+m0s1
MFCD01647738
ZINC000003984164
ZINC000253499017
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