Vitas-M small molecule compound
(3alpha,5alpha,8xi,9xi,14xi)-17-oxoandrostan-3-yl 3-iodobenzoate
Catalog ID
STL546744
SMILES Ic1cccc(c1)C(=O)O[C@@H]1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CCC2=O)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 C26H33IO3 MW 520.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33IO3/c1-25-12-10-19(30-24(29)16-4-3-5-18(27)14-16)15-17(25)6-7-20-21-8-9-23(28)26(21,2)13-11-22(20)25/h3-5,14,17,19-22H,6-13,15H2,1-2H3/t17-,19+,20?,21?,22?,25-,26-/m0/s1InChIKey
DNENTRDNKLNGCK-PCEACXHLSA-NSynonyms
((3~(R)5~(S)10~(S)13~(S))1013dimethyl17oxo1234567891112141516tetradecahydrocyclopenta(a)phenanthren3yl)3iodobenzoate
(3alpha5alpha8xi9xi14xi)17oxoandrostan3yl3iodobenzoate
(3R5S10S13S)1013dimethyl17oxohexadecahydro1Hcyclopenta(a)phenanthren3yl3iodobenzoate
16399912
Ic1cccc(c1)C(=O)O(C@@H)1CC(C@)2((C@H)(C1)CCC1C2CC(C@)2(C1CCC2=O)C)C
InChI=1SC26H33IO3c125121019(3024(29)1643518(27)1416)1517(25)6720218923(28)26(212)131122(20)25h3514171922H61315H212H3t1719+20?21?22?2526m0s1
MFCD01546972
ZINC000008917955
ZINC000253498618
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