Vitas-M small molecule compound
(3S,10R,13R)-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 hexyl carbonate (non-preferred name)
Catalog ID
STL524769
SMILES CCCCCCCCC1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CC[C@@H](C2)OC(=O)OCCCCCC
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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 C34H58O3 MW 514.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H58O3/c1-5-7-9-11-12-13-15-26-17-19-30-29-18-16-27-25-28(37-32(35)36-24-14-10-8-6-2)20-22-34(27,4)31(29)21-23-33(26,30)3/h16,26,28-31H,5-15,17-25H2,1-4H3/t26?,28-,29?,30?,31?,33+,34-/m0/s1InChIKey
KVPMCLKPCBKTGV-WNNKUWKASA-NSynonyms
((3~(S)10~(R)13~(R))1013dimethyl17octyl234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)hexylcarbonate
(3S10R13R)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3ylhexylcarbonate(nonpreferredname)
(3S8S9S10R13R14S17S)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3ylhexylcarbonate
135638978
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)OCCCCCC
InChI=1SC34H58O3c15791112131526171930291816272528(3732(35)36241410862)202234(274)31(29)212333(2630)3h16262831H5151725H214H3t26?2829?30?31?33+34m0s1
MFCD01081727
ZINC000503939521
ZINC001772491761
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