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 (2Z)-2-methylbut-2-enoate (non-preferred name)
Catalog ID
STL553667
SMILES CCCCCCCCC1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)/C(=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 C32H52O2 MW 468.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H52O2/c1-6-8-9-10-11-12-13-24-15-17-28-27-16-14-25-22-26(34-30(33)23(3)7-2)18-20-32(25,5)29(27)19-21-31(24,28)4/h7,14,24,26-29H,6,8-13,15-22H2,1-5H3/b23-7-InChIKey
WXCCRMLNFFAMJC-FINSYCMTSA-NSynonyms
(1013dimethyl17octyl234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)(~(Z))2methylbut2enoate
(Z)(3S8S9S10R13R14S17S)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl2methylbut2enoate
1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl(2Z)2methylbut2enoate(nonpreferredname)
5901336
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)C
InChI=1SC32H52O2c16891011121324151728271614252226(3430(33)23(3)72)182032(255)29(27)192131(2428)4h714242629H68131522H215H3b237
MFCD10465765
ZINC001772491109
ZINC001772491112
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