Vitas-M small molecule compound

(3beta,8xi,9xi,14xi,17xi,20xi)-cholest-5-en-3-yl (2E)-3-(3,4-dimethoxyphenyl)prop-2-enoate

Catalog ID
STL548789
SMILES COc1cc(/C=C/C(=O)O[C@H]2CC[C@]3(C(=CCC4C3CC[C@]3(C4CCC3C(CCCC(C)C)C)C)C2)C)ccc1OC

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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 C38H56O4 MW 576.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H56O4/c1-25(2)9-8-10-26(3)31-15-16-32-30-14-13-28-24-29(19-21-37(28,4)33(30)20-22-38(31,32)5)42-36(39)18-12-27-11-17-34(40-6)35(23-27)41-7/h11-13,17-18,23,25-26,29-33H,8-10,14-16,19-22,24H2,1-7H3/b18-12+/t26?,29-,30?,31?,32?,33?,37-,38+/m0/s1
InChIKey
JOCKSCIXCYCHDZ-RUBUHICASA-N
Synonyms

((3~(S)10~(R)13~(R))1013dimethyl17(6methylheptan2yl)234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)(~(E))3(34dimethoxyphenyl)prop2enoate
(3beta8xi9xi14xi17xi20xi)cholest5en3yl(2E)3(34dimethoxyphenyl)prop2enoate
(E)(3S10R13R17R)1013dimethyl17((R)6methylheptan2yl)2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl3(34dimethoxyphenyl)acrylate
135639797
COc1cc(C=CC(=O)O(C@H)2CC(C@)3(C(=CCC4C3CC(C@)3(C4CC(C@@H)3(C@@H)(CCCC(C)C)C)C)C2)C)ccc1OC
InChI=1SC38H56O4c125(2)981026(3)31151632301413282429(192137(284)33(30)202238(3132)5)4236(39)181227111734(406)35(2327)417h111317182325262933H8101416192224H217H3b1812+t26?2930?31?32?33?3738+m0s1
ZINC001772492816
ZINC001772492819

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Available files

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