Vitas-M small molecule compound
5,6-dibromo-10,13-dimethyl-17-octylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl heptanoate (non-preferred name)
Catalog ID
STL553645
SMILES CCCCCCCCC1CCC2C1(C)CCC1C2CC(C2(C1(C)CCC(C2)OC(=O)CCCCCC)Br)Br
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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 C34H58Br2O2 MW 658.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H58Br2O2/c1-5-7-9-11-12-13-15-25-17-18-28-27-23-30(35)34(36)24-26(38-31(37)16-14-10-8-6-2)19-22-33(34,4)29(27)20-21-32(25,28)3/h25-30H,5-24H2,1-4H3InChIKey
PZBUHTHCCFTXDY-UHFFFAOYSA-NSynonyms
(3S10R13R)56dibromo1013dimethyl17octylhexadecahydro1Hcyclopenta(a)phenanthren3ylheptanoate
(56dibromo1013dimethyl17octyl12346789111214151617tetradecahydrocyclopenta(a)phenanthren3yl)heptanoate
3837171
56dibromo1013dimethyl17octylhexadecahydro1Hcyclopenta(a)phenanthren3ylheptanoate(nonpreferredname)
CCCCCCCCC1CCC2(C@)1(C)CCC1C2CC(C2((C@)1(C)CC(C@@H)(C2)OC(=O)CCCCCC)Br)Br
InChI=1SC34H58Br2O2c15791112131525171828272330(35)34(36)2426(3831(37)161410862)192233(344)29(27)202132(2528)3h2530H524H214H3
MFCD01364307
ZINC000085867632
ZINC000504246586
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