Vitas-M small molecule compound
(3beta,8xi,9xi,14xi,17xi,20xi)-cholest-5-en-3-yl 2-bromo-3-phenylpropanoate
Catalog ID
STL546676
SMILES CC(CCCC(C1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CC[C@@H](C2)OC(=O)C(Cc1ccccc1)Br)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 C36H53BrO2 MW 597.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H53BrO2/c1-24(2)10-9-11-25(3)30-16-17-31-29-15-14-27-23-28(18-20-35(27,4)32(29)19-21-36(30,31)5)39-34(38)33(37)22-26-12-7-6-8-13-26/h6-8,12-14,24-25,28-33H,9-11,15-23H2,1-5H3/t25?,28-,29?,30?,31?,32?,33?,35-,36+/m0/s1InChIKey
ZODHPXNJFNZLJV-JFHKMGKESA-NSynonyms
((3~(S)10~(R)13~(R))1013dimethyl17(6methylheptan2yl)234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)2bromo3phenylpropanoate
(3beta8xi9xi14xi17xi20xi)cholest5en3yl2bromo3phenylpropanoate
(3S10R13R17R)1013dimethyl17((R)6methylheptan2yl)2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl2bromo3phenylpropanoate
135639749
CC(CCC(C@H)((C@H)1CCC2(C@)1(C)CCC1C2CC=C2(C@)1(C)CC(C@@H)(C2)OC(=O)C(Cc1ccccc1)Br)C)C
InChI=1SC36H53BrO2c124(2)1091125(3)30161731291514272328(182035(274)32(29)192136(3031)5)3934(38)33(37)2226127681326h68121424252833H9111523H215H3t25?2829?30?31?32?33?3536+m0s1
ZINC001772492789
ZINC001772492793
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