Vitas-M small molecule compound
(3beta,8xi,9xi,14xi,17xi,20xi)-cholest-5-en-3-yl (2E)-3-chlorobut-2-enoate
Catalog ID
STL546213
SMILES CC(CCCC(C1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CC[C@@H](C2)OC(=O)/C=C(/Cl)\C)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 C31H49ClO2 MW 489.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H49ClO2/c1-20(2)8-7-9-21(3)26-12-13-27-25-11-10-23-19-24(34-29(33)18-22(4)32)14-16-30(23,5)28(25)15-17-31(26,27)6/h10,18,20-21,24-28H,7-9,11-17,19H2,1-6H3/b22-18+/t21?,24-,25?,26?,27?,28?,30-,31+/m0/s1InChIKey
WLTCHRVAPMUZPR-SCSXRUNNSA-NSynonyms
((3~(S)10~(R)13~(R))1013dimethyl17(6methylheptan2yl)234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)(~(E))3chlorobut2enoate
(3beta8xi9xi14xi17xi20xi)cholest5en3yl(2E)3chlorobut2enoate
(E)(3S10R13R17R)1013dimethyl17((R)6methylheptan2yl)2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl3chlorobut2enoate
122170096
CC(CCC(C@H)((C@H)1CCC2(C@)1(C)CCC1C2CC=C2(C@)1(C)CC(C@@H)(C2)OC(=O)C=C(Cl)C)C)C
InChI=1SC31H49ClO2c120(2)87921(3)26121327251110231924(3429(33)1822(4)32)141630(235)28(25)151731(2627)6h101820212428H79111719H216H3b2218+t21?2425?26?27?28?3031+m0s1
ZINC000409414462
ZINC000409414466
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