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 4-hexylphenyl carbonate (non-preferred name)
Catalog ID
STL525185
SMILES CCCCCCCCC1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CC[C@@H](C2)OC(=O)Oc1ccc(cc1)CCCCCC
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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 C40H62O3 MW 590.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H62O3/c1-5-7-9-11-12-14-16-31-20-24-36-35-23-19-32-29-34(25-27-40(32,4)37(35)26-28-39(31,36)3)43-38(41)42-33-21-17-30(18-22-33)15-13-10-8-6-2/h17-19,21-22,31,34-37H,5-16,20,23-29H2,1-4H3/t31?,34-,35?,36?,37?,39+,40-/m0/s1InChIKey
KUYJAUBIDWYCSR-SXGIJKRSSA-NSynonyms
((3~(S)10~(R)13~(R))1013dimethyl17octyl234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)(4hexylphenyl)carbonate
(3S10R13R)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl4hexylphenylcarbonate(nonpreferredname)
(3S8S9S10R13R14S17S)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl(4hexylphenyl)carbonate
44662587
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)Oc1ccc(cc1)CCCCCC
InChI=1SC40H62O3c15791112141631202436352319322934(252740(324)37(35)262839(3136)3)4338(41)4233211730(182233)151310862h17192122313437H516202329H214H3t31?3435?36?37?39+40m0s1
MFCD01082647
ZINC000253505530
ZINC000253505539
Check stock
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