Vitas-M small molecule compound
(5S,10S,13S,16R)-16-bromo-10,13-dimethyl-1,4,5,6,7,8,9,10,11,12,13,14,15,16-tetradecahydrospiro[cyclopenta[a]phenanthrene-17,2'-[1,3]dioxolane]
Catalog ID
STL528254
SMILES Br[C@@H]1CC2[C@](C31OCCO3)(C)CCC1C2CC[C@@H]2[C@]1(C)CC=CC2
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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 C21H31BrO2 MW 395.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H31BrO2/c1-19-9-4-3-5-14(19)6-7-15-16(19)8-10-20(2)17(15)13-18(22)21(20)23-11-12-24-21/h3-4,14-18H,5-13H2,1-2H3/t14-,15?,16?,17?,18-,19+,20+/m1/s1InChIKey
QAHFVTOKOXJWRU-UBYPMQGISA-NSynonyms
(5~(S)10~(S)13~(S)16~(R))16bromo1013dimethylspiro(13dioxolane21714567891112141516dodecahydrocyclopenta(a)phenanthrene)
(5S10S13S16R)16bromo1013dimethyl145678910111213141516tetradecahydrospiro(cyclopenta(a)phenanthrene172(13)dioxolane)
16398493
Br(C@@H)1CC2(C@)(C31OCCO3)(C)CCC1C2CC(C@@H)2(C@)1(C)CC=CC2
InChI=1SC21H31BrO2c119943514(19)671516(19)81020(2)17(15)1318(22)21(20)2311122421h341418H513H212H3t1415?16?17?1819+20+m1s1
MFCD03850004
ZINC000004044569
ZINC000012661709
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