Vitas-M small molecule compound
(3beta,8xi,9xi,14xi,17xi,20xi)-cholest-5-en-3-yl (2E)-3-phenylprop-2-enoate
Catalog ID
STL547520
SMILES CC(CCCC(C1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CC[C@@H](C2)OC(=O)/C=C/c1ccccc1)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 C36H52O2 MW 516.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H52O2/c1-25(2)10-9-11-26(3)31-17-18-32-30-16-15-28-24-29(38-34(37)19-14-27-12-7-6-8-13-27)20-22-35(28,4)33(30)21-23-36(31,32)5/h6-8,12-15,19,25-26,29-33H,9-11,16-18,20-24H2,1-5H3/b19-14+/t26?,29-,30?,31?,32?,33?,35-,36+/m0/s1InChIKey
FESYLMLHRKCTFF-PIXHBUFFSA-NSynonyms
((3~(S)10~(R)13~(R))1013dimethyl17(6methylheptan2yl)234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)(~(E))3phenylprop2enoate
(3beta8xi9xi14xi17xi20xi)cholest5en3yl(2E)3phenylprop2enoate
(3S10R13R17R)1013dimethyl17((R)6methylheptan2yl)2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3ylcinnamate
135639770
CC(CCC(C@H)((C@H)1CCC2(C@)1(C)CCC1C2CC=C2(C@)1(C)CC(C@@H)(C2)OC(=O)C=Cc1ccccc1)C)C
InChI=1SC36H52O2c125(2)1091126(3)31171832301615282429(3834(37)191427127681327)202235(284)33(30)212336(3132)5h6812151925262933H91116182024H215H3b1914+t26?2930?31?32?33?3536+m0s1
ZINC000043759920
ZINC001772492750
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