Vitas-M small molecule compound
methyl ({2-[(8xi,9xi,14xi,16alpha)-11,16-dihydroxy-3-oxoandrost-4-en-16-yl]-2-oxoethyl}sulfanyl)acetate
Catalog ID
STL566192
SMILES COC(=O)CSCC(=O)[C@@]1(O)CC2[C@](C1)(C)CC(C1C2CCC2=CC(=O)CC[C@]12C)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 C24H34O6S MW 450.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H34O6S/c1-22-10-18(26)21-16(5-4-14-8-15(25)6-7-23(14,21)2)17(22)9-24(29,13-22)19(27)11-31-12-20(28)30-3/h8,16-18,21,26,29H,4-7,9-13H2,1-3H3/t16?,17?,18?,21?,22-,23+,24-/m1/s1InChIKey
RSOVQQJKSMPCRP-VVQQXKETSA-NSynonyms
16396036
COC(=O)CSCC(=O)(C@@)1(O)CC2(C@)(C1)(C)CC(C1C2CCC2=CC(=O)CC(C@)12C)O
InChI=1SC24H34O6Sc1221018(26)2116(5414815(25)6723(1421)2)17(22)924(291322)19(27)11311220(28)303h81618212629H47913H213H3t16?17?18?21?2223+24m1s1
methyl((2((8xi9xi14xi16alpha)1116dihydroxy3oxoandrost4en16yl)2oxoethyl)sulfanyl)acetate
methyl2((2((10R13R16R)1116dihydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren16yl)2oxoethyl)thio)acetate
methyl2(2((10R13R16R)1116dihydroxy1013dimethyl3oxo267891112141517decahydro1Hcyclopenta(a)phenanthren16yl)2oxoethyl)sulfanylacetate
ZINC000008740181
ZINC000253499935
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