Vitas-M small molecule compound
2-[(10R,13S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid (non-preferred name)
Catalog ID
STL525087
SMILES OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CCC2C(C(=O)O)C)C)C1)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 C22H34O3 MW 346.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H34O3/c1-13(20(24)25)17-6-7-18-16-5-4-14-12-15(23)8-10-21(14,2)19(16)9-11-22(17,18)3/h4,13,15-19,23H,5-12H2,1-3H3,(H,24,25)/t13?,15?,16?,17?,18?,19?,21-,22+/m0/s1InChIKey
NPBNRBWMDNZEBN-JNDQCLTMSA-NSynonyms
(2S)2((3S8S10R13S17R)3hydroxy1013dimethyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)propanoicacid
135639016
2((10~(R)13~(S))3hydroxy1013dimethyl234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren17yl)propanoicacid
2((10R13S)3hydroxy1013dimethyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)propanoicacid(nonpreferredname)
InChI=1SC22H34O3c113(20(24)25)1767181654141215(23)81021(142)19(16)91122(1718)3h413151923H512H213H3(H2425)t13?15?16?17?18?19?2122+m0s1
MFCD01544912
O(C@H)1CC(C@)2(C(=CC(C@@H)3C2CC(C@)2(C3CC(C@@H)2(C@@H)(C(=O)O)C)C)C1)C
ZINC000002097326
ZINC001772491620
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