Vitas-M small molecule compound
(8xi,9xi,14xi,17xi)-3-[(bromoacetyl)oxy]-14-hydroxycard-20(22)-enolide
Catalog ID
STL525533
SMILES BrCC(=O)OC1CC[C@]2(C(C1)CCC1C2CC[C@]2(C1(O)CCC2C1=CC(=O)OC1)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 C25H35BrO5 MW 495.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H35BrO5/c1-23-8-5-17(31-22(28)13-26)12-16(23)3-4-20-19(23)6-9-24(2)18(7-10-25(20,24)29)15-11-21(27)30-14-15/h11,16-20,29H,3-10,12-14H2,1-2H3/t16?,17?,18?,19?,20?,23-,24+,25?/m0/s1InChIKey
NINRIIHMWQEVEA-CTUHOCCXSA-NSynonyms
((10~(S)13~(R))14hydroxy1013dimethyl17(5oxo2~(H)furan3yl)1234567891112151617tetradecahydrocyclopenta(a)phenanthren3yl)2bromoacetate
(3S5R8R9S10S13R14S17R)14hydroxy1013dimethyl17(5oxo25dihydrofuran3yl)hexadecahydro1Hcyclopenta(a)phenanthren3yl2bromoacetate
(8xi9xi14xi17xi)3((bromoacetyl)oxy)14hydroxycard20(22)enolide
135639066
BrCC(=O)O(C@H)1CC(C@)2((C@@H)(C1)CC(C@@H)1(C@@H)2CC(C@)2((C@)1(O)CC(C@@H)2C1=CC(=O)OC1)C)C
InChI=1SC25H35BrO5c1238517(3122(28)1326)1216(23)342019(23)6924(2)18(71025(2024)29)151121(27)301415h11162029H3101214H212H3t16?17?18?19?20?2324+25?m0s1
MFCD01083609
ZINC000012656838
ZINC000253534598
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