Vitas-M small molecule compound
(3alpha,5alpha,8xi,9xi,14xi,17beta)-17-hydroxy-17-methylandrostan-3-yl 3-iodobenzoate
Catalog ID
STL525400
SMILES Ic1cccc(c1)C(=O)O[C@@H]1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CC[C@]2(C)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 C27H37IO3 MW 536.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H37IO3/c1-25-12-9-20(31-24(29)17-5-4-6-19(28)15-17)16-18(25)7-8-21-22(25)10-13-26(2)23(21)11-14-27(26,3)30/h4-6,15,18,20-23,30H,7-14,16H2,1-3H3/t18-,20+,21?,22?,23?,25-,26-,27-/m0/s1InChIKey
NVISQVHVMJNYDG-VDOJNPGJSA-NSynonyms
((3~(R)5~(S)10~(S)13~(S)17~(S))17hydroxy101317trimethyl1234567891112141516tetradecahydrocyclopenta(a)phenanthren3yl)3iodobenzoate
(3alpha5alpha8xi9xi14xi17beta)17hydroxy17methylandrostan3yl3iodobenzoate
(3R5S10S13S17S)17hydroxy101317trimethylhexadecahydro1Hcyclopenta(a)phenanthren3yl3iodobenzoate
16396085
Ic1cccc(c1)C(=O)O(C@@H)1CC(C@)2((C@H)(C1)CCC1C2CC(C@)2(C1CC(C@)2(C)O)C)C
InChI=1SC27H37IO3c12512920(3124(29)1754619(28)1517)1618(25)782122(25)101326(2)23(21)111427(263)30h461518202330H71416H213H3t1820+21?22?23?252627m0s1
MFCD01547624
ZINC000070665923
ZINC000253499801
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