Vitas-M small molecule compound
(3beta,8xi,9xi,14xi,17xi,20xi)-cholest-5-en-3-yl 2-bromopropanoate
Catalog ID
STL546414
SMILES CC(CCCC(C1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CC[C@@H](C2)OC(=O)C(Br)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 C30H49BrO2 MW 521.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H49BrO2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(33-28(32)21(4)31)14-16-29(22,5)27(24)15-17-30(25,26)6/h10,19-21,23-27H,7-9,11-18H2,1-6H3/t20?,21?,23-,24?,25?,26?,27?,29-,30+/m0/s1InChIKey
HQCIIKWOMRRRPN-VABCHNGCSA-NSynonyms
((3~(S)10~(R)13~(R))1013dimethyl17(6methylheptan2yl)234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)2bromopropanoate
(3beta8xi9xi14xi17xi20xi)cholest5en3yl2bromopropanoate
(3S10R13R17R)1013dimethyl17((R)6methylheptan2yl)2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl2bromopropanoate
135639740
CC(CCC(C@H)((C@H)1CCC2(C@)1(C)CCC1C2CC=C2(C@)1(C)CC(C@@H)(C2)OC(=O)C(Br)C)C)C
InChI=1SC30H49BrO2c119(2)87920(3)25121326241110221823(3328(32)21(4)31)141629(225)27(24)151730(2526)6h1019212327H791118H216H3t20?21?2324?25?26?27?2930+m0s1
ZINC001772492679
ZINC001772492682
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