Vitas-M small molecule compound
S-[(3beta,8xi,9xi,14xi,17xi,20xi)-cholest-5-en-3-yl] 2-bromo-3-methylbutanethioate
Catalog ID
STL548790
SMILES CC(CCCC(C1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CC[C@@H](C2)SC(=O)C(C(C)C)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 C32H53BrOS MW 565.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H53BrOS/c1-20(2)9-8-10-22(5)26-13-14-27-25-12-11-23-19-24(35-30(34)29(33)21(3)4)15-17-31(23,6)28(25)16-18-32(26,27)7/h11,20-22,24-29H,8-10,12-19H2,1-7H3/t22?,24-,25?,26?,27?,28?,29?,31-,32+/m0/s1InChIKey
RHVUWCOPIAXOFJ-KJRIODSESA-NSynonyms
~(S)((3~(S)10~(R)13~(R))1013dimethyl17(6methylheptan2yl)234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)2bromo3methylbutanethioate
51052167
CC(CCCC(C1CCC2(C@)1(C)CCC1C2CC=C2(C@)1(C)CC(C@@H)(C2)SC(=O)C(C(C)C)Br)C)C
InChI=1SC32H53BrOSc120(2)981022(5)26131427251211231924(3530(34)29(33)21(3)4)151731(236)28(25)161832(2627)7h1120222429H8101219H217H3t22?2425?26?27?28?29?3132+m0s1
S((3beta8xi9xi14xi17xi20xi)cholest5en3yl)2bromo3methylbutanethioate
S((3S10R13R)1013dimethyl17(6methylheptan2yl)2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl)2bromo3methylbutanethioate
ZINC000253531104
ZINC000253531107
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