Vitas-M small molecule compound
10,13-dimethyl-17-octyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl (2E)-but-2-enoate (non-preferred name)
Catalog ID
STL553666
SMILES CCCCCCCCC1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)/C=C/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 C31H50O2 MW 454.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H50O2/c1-5-7-8-9-10-11-13-23-15-17-27-26-16-14-24-22-25(33-29(32)12-6-2)18-20-31(24,4)28(26)19-21-30(23,27)3/h6,12,14,23,25-28H,5,7-11,13,15-22H2,1-4H3/b12-6+InChIKey
YYWAAMFXRSFWRH-WUXMJOGZSA-NSynonyms
(1013dimethyl17octyl234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)(~(E))but2enoate
(E)(3S8S9S10R13R14S17S)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3ylbut2enoate
1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl(2E)but2enoate(nonpreferredname)
5936808
CCCCCCCC(C@H)1CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CC=C2(C@)1(C)CC(C@@H)(C2)OC(=O)C=CC
InChI=1SC31H50O2c1578910111323151727261614242225(3329(32)1262)182031(244)28(26)192130(2327)3h61214232528H5711131522H214H3b126+
MFCD10465767
ZINC000503909176
ZINC000503909186
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