Vitas-M small molecule compound
(3alpha,5beta,12alpha)-24-(4-benzylpiperidin-1-yl)-3,12-dihydroxycholan-24-one
Catalog ID
STL538462
SMILES O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)N1CCC(CC1)Cc1ccccc1)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 C36H55NO3 MW 549.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H55NO3/c1-24(9-14-34(40)37-19-16-26(17-20-37)21-25-7-5-4-6-8-25)30-12-13-31-29-11-10-27-22-28(38)15-18-35(27,2)32(29)23-33(39)36(30,31)3/h4-8,24,26-33,38-39H,9-23H2,1-3H3/t24-,27-,28-,29+,30-,31+,32+,33+,35+,36-/m1/s1InChIKey
XXQFDILKXJXVNH-KSJOHQKXSA-NSynonyms
(3alpha5beta12alpha)24(4benzylpiperidin1yl)312dihydroxycholan24one
(4~(R))1(4benzylpiperidin1yl)4((3~(R)5~(R)8~(R)9~(S)10~(S)12~(S)13~(R)14~(S)17~(R))312dihydroxy1013dimethyl23456789111214151617tetradecahydro1~(H)cyclopenta(a)phenanthren17yl)pentan1one
(R)1(4benzylpiperidin1yl)4((3R5R8R9S10S12S13R14S17R)312dihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)pentan1one
71692071
InChI=1SC36H55NO3c124(91434(40)37191626(172037)21257546825)30121331291110272228(38)151835(272)32(29)2333(39)36(3031)3h482426333839H923H213H3t24272829+3031+32+33+35+36m1s1
O(C@@H)1CC(C@)2((C@@H)(C1)CC(C@@H)1(C@@H)2C(C@H)(O)(C@)2((C@H)1CC(C@@H)2(C@@H)(CCC(=O)N1CCC(CC1)Cc1ccccc1)C)C)C
ZINC000072325567
ZINC72325567
Check stock
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Check stock on Vitas-MAvailable files
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