Vitas-M small molecule compound
(8xi,14xi,17alpha)-17-hydroxy-3-oxoandrosta-4,9(11)-diene-17-carbonitrile
Catalog ID
STL526418
SMILES N#C[C@@]1(O)CCC2[C@]1(C)CC=C1C2CCC2=CC(=O)CC[C@]12C
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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 C20H25NO2 MW 311.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25NO2/c1-18-8-5-14(22)11-13(18)3-4-15-16(18)6-9-19(2)17(15)7-10-20(19,23)12-21/h6,11,15,17,23H,3-5,7-10H2,1-2H3/t15?,17?,18-,19-,20-/m0/s1InChIKey
WAYJZBKPYHUYKH-SAETXWKOSA-NSynonyms
(10~(S)13~(S)17~(R))17hydroxy1013dimethyl3oxo267812141516octahydro1~(H)cyclopenta(a)phenanthrene17carbonitrile
(10S13S17R)17hydroxy1013dimethyl3oxo2367810121314151617dodecahydro1Hcyclopenta(a)phenanthrene17carbonitrile
(8xi14xi17alpha)17hydroxy3oxoandrosta49(11)diene17carbonitrile
13035459
InChI=1SC20H25NO2c1188514(22)1113(18)341516(18)6919(2)17(15)71020(1923)1221h611151723H35710H212H3t15?17?181920m0s1
MFCD01081663
N#C(C@@)1(O)CCC2(C@)1(C)CC=C1C2CCC2=CC(=O)CC(C@)12C
ZINC000060216905
ZINC000070665791
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