Vitas-M small molecule compound
(3alpha,5alpha,8xi,9xi,14xi,17alpha)-3-azidoandrostan-17-yl 4-methylbenzenesulfonate
Catalog ID
STL525725
SMILES [N-]=[N+]=N[C@@H]1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CC[C@H]2OS(=O)(=O)c1ccc(cc1)C)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 C26H37N3O3S MW 471.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H37N3O3S/c1-17-4-7-20(8-5-17)33(30,31)32-24-11-10-22-21-9-6-18-16-19(28-29-27)12-14-25(18,2)23(21)13-15-26(22,24)3/h4-5,7-8,18-19,21-24H,6,9-16H2,1-3H3/t18-,19+,21?,22?,23?,24+,25-,26-/m0/s1InChIKey
UDEIYWGLDYMJJT-MOBDHUIESA-NSynonyms
((3~(R)5~(S)10~(S)13~(S)17~(R))3azido1013dimethyl23456789111214151617tetradecahydro1~(H)cyclopenta(a)phenanthren17yl)4methylbenzenesulfonate
(3alpha5alpha8xi9xi14xi17alpha)3azidoandrostan17yl4methylbenzenesulfonate
(3R5S10S13S17R)3azido1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl4methylbenzenesulfonate
(N)=(N+)=N(C@@H)1CC(C@)2((C@H)(C1)CCC1C2CC(C@)2(C1CC(C@H)2OS(=O)(=O)c1ccc(cc1)C)C)C
16396434
InChI=1SC26H37N3O3Sc1174720(8517)33(3031)32241110222196181619(282927)121425(182)23(21)131526(2224)3h457818192124H6916H213H3t1819+21?22?23?24+2526m0s1
MFCD01880854
ZINC000008762039
ZINC000253500020
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