Vitas-M small molecule compound
(9R,10S,13S,17R)-9,17-dihydroxy-10,13-dimethyl-1,2,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolane]-17-carbonitrile
Catalog ID
STL527015
SMILES N#C[C@@]1(O)CCC2[C@]1(C)CC[C@]1(C2CC=C2[C@]1(C)CCC1(C2)OCCO1)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 C22H31NO4 MW 373.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H31NO4/c1-18-7-9-21(26-11-12-27-21)13-15(18)3-4-17-16-5-6-20(24,14-23)19(16,2)8-10-22(17,18)25/h3,16-17,24-25H,4-13H2,1-2H3/t16?,17?,18-,19-,20-,22+/m0/s1InChIKey
LKEPHUQNDKLJEI-CWCBBQCKSA-NSynonyms
(9~(R)10~(S)13~(S)17~(R))917dihydroxy1013dimethylspiro(124781112141516decahydrocyclopenta(a)phenanthrene3213dioxolane)17carbonitrile
(9R10S13S17R)917dihydroxy1013dimethyl1247891011121314151617tetradecahydrospiro(cyclopenta(a)phenanthrene32(13)dioxolane)17carbonitrile
16397376
InChI=1SC22H31NO4c1187921(2611122721)1315(18)3417165620(241423)19(162)81022(1718)25h316172425H413H212H3t16?17?18192022+m0s1
MFCD03005701
N#C(C@@)1(O)CCC2(C@)1(C)CC(C@)1(C2CC=C2(C@)1(C)CCC1(C2)OCCO1)O
ZINC000059042291
ZINC000070670227
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