Vitas-M small molecule compound
4-[(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]-4-oxobutane-1,1,2,2-tetracarbonitrile (non-preferred name)
Catalog ID
STL527612
SMILES N#CC(C(CC(=O)C1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CCC(C2)O)(C#N)C#N)C#N
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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 C27H32N4O2 MW 444.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N4O2/c1-25-9-7-19(32)11-17(25)3-4-20-21-5-6-23(26(21,2)10-8-22(20)25)24(33)12-27(15-30,16-31)18(13-28)14-29/h3,18-23,32H,4-12H2,1-2H3/t19?,20?,21?,22?,23?,25-,26-/m0/s1InChIKey
RTKFWGFLHGHLEO-MTDHOPOQSA-NSynonyms
16397330
4((10~(R)13~(S))3hydroxy1013dimethyl234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren17yl)4oxobutane1122tetracarbonitrile
4((10R13S)3hydroxy1013dimethyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)4oxobutane1122tetracarbonitrile
4((10R13S)3hydroxy1013dimethyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)4oxobutane1122tetracarbonitrile(nonpreferredname)
InChI=1SC27H32N4O2c1259719(32)1117(25)3420215623(26(212)10822(20)25)24(33)1227(15301631)18(1328)1429h3182332H412H212H3t19?20?21?22?23?2526m0s1
MFCD02925953
N#CC(C(CC(=O)C1CCC2(C@)1(C)CCC1C2CC=C2(C@)1(C)CCC(C2)O)(C#N)C#N)C#N
ZINC000252694909
ZINC000253499941
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