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 heptyl carbonate (non-preferred name)
Catalog ID
STL525301
SMILES CCCCCCCCC1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CC[C@@H](C2)OC(=O)OCCCCCCC
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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 C35H60O3 MW 528.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H60O3/c1-5-7-9-11-12-14-16-27-18-20-31-30-19-17-28-26-29(38-33(36)37-25-15-13-10-8-6-2)21-23-35(28,4)32(30)22-24-34(27,31)3/h17,27,29-32H,5-16,18-26H2,1-4H3/t27?,29-,30?,31?,32?,34+,35-/m0/s1InChIKey
MYXARPZDZKVPTQ-WAACUCMXSA-NSynonyms
((3~(S)10~(R)13~(R))1013dimethyl17octyl234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)heptylcarbonate
(3S10R13R)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3ylheptylcarbonate(nonpreferredname)
(3S8S9S10R13R14S17S)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3ylheptylcarbonate
135639044
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)OCCCCCCC
InChI=1SC35H60O3c15791112141627182031301917282629(3833(36)3725151310862)212335(284)32(30)222434(2731)3h17272932H5161826H214H3t27?2930?31?32?34+35m0s1
MFCD01082460
ZINC000503897888
ZINC001772491618
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