Vitas-M small molecule compound
(8xi,9xi,11beta,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl diethylcarbamodithioate
Catalog ID
STL566054
SMILES CCN(C(=S)SCC(=O)[C@@]1(O)CCC2[C@]1(C)C[C@H](O)C1C2CCC2=CC(=O)CC[C@]12C)CC
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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 C26H39NO4S2 MW 493.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H39NO4S2/c1-5-27(6-2)23(32)33-15-21(30)26(31)12-10-19-18-8-7-16-13-17(28)9-11-24(16,3)22(18)20(29)14-25(19,26)4/h13,18-20,22,29,31H,5-12,14-15H2,1-4H3/t18?,19?,20-,22?,24-,25-,26-/m0/s1InChIKey
WEZGTTICSWUZNC-OTQDUPPLSA-NSynonyms
(2((10R11S13S17R)1117dihydroxy1013dimethyl3oxo267891112141516decahydro1Hcyclopenta(a)phenanthren17yl)2oxoethyl)NNdiethylcarbamodithioate
(8xi9xi11beta14xi)1117dihydroxy320dioxopregn4en21yldiethylcarbamodithioate
16396056
2((10R11S13S17R)1117dihydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethyldiethylcarbamodithioate
CCN(C(=S)SCC(=O)(C@@)1(O)CCC2(C@)1(C)C(C@H)(O)C1C2CCC2=CC(=O)CC(C@)12C)CC
InChI=1SC26H39NO4S2c1527(62)23(32)331521(30)26(31)1210191887161317(28)91124(163)22(18)20(29)1425(1926)4h131820222931H5121415H214H3t18?19?2022?242526m0s1
ZINC000012657171
ZINC000253500099
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