Vitas-M small molecule compound
(2alpha,5alpha,8xi,9xi,14xi,16alpha)-2-bromo-17-hydroxy-16-methyl-3,20-dioxopregnan-21-yl acetate
Catalog ID
STL548837
SMILES CC(=O)OCC(=O)[C@@]1(O)[C@H](C)CC2[C@]1(C)CCC1C2CC[C@@H]2[C@]1(C)C[C@@H](Br)C(=O)C2
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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 C24H35BrO5 MW 483.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H35BrO5/c1-13-9-18-16-6-5-15-10-20(27)19(25)11-22(15,3)17(16)7-8-23(18,4)24(13,29)21(28)12-30-14(2)26/h13,15-19,29H,5-12H2,1-4H3/t13-,15+,16?,17?,18?,19-,22+,23+,24+/m1/s1InChIKey
AEDZUDVIFQHWGD-ISKXOCGDSA-NSynonyms
(2((2~(R)5~(S)10~(S)13~(S)16~(R)17~(R))2bromo17hydroxy101316trimethyl3oxo24567891112141516dodecahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethyl)acetate
(2alpha5alpha8xi9xi14xi16alpha)2bromo17hydroxy16methyl320dioxopregnan21ylacetate
16395825
2((2R5S10S13S16R17R)2bromo17hydroxy101316trimethyl3oxohexadecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethylacetate
CC(=O)OCC(=O)(C@@)1(O)(C@H)(C)CC2(C@)1(C)CCC1C2CC(C@@H)2(C@)1(C)C(C@@H)(Br)C(=O)C2
InChI=1SC24H35BrO5c1139181665151020(27)19(25)1122(153)17(16)7823(184)24(1329)21(28)123014(2)26h13151929H512H214H3t1315+16?17?18?1922+23+24+m1s1
MFCD01546511
ZINC000012656375
ZINC000253498869
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