Vitas-M small molecule compound
(3alpha,5beta,12alpha)-N-benzyl-3,12-dihydroxycholan-24-amide
Catalog ID
STL538226
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)NCc1ccccc1)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 C31H47NO3 MW 481.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H47NO3/c1-20(9-14-29(35)32-19-21-7-5-4-6-8-21)25-12-13-26-24-11-10-22-17-23(33)15-16-30(22,2)27(24)18-28(34)31(25,26)3/h4-8,20,22-28,33-34H,9-19H2,1-3H3,(H,32,35)/t20-,22-,23-,24+,25-,26+,27+,28+,30+,31-/m1/s1InChIKey
UHYHALRBUMIQDC-ZZLQJFCYSA-NSynonyms
86678-91-3(3alpha5beta12alpha)Nbenzyl312dihydroxycholan24amide
(4~(R))~(N)benzyl4((3~(R)5~(R)8~(R)9~(S)10~(S)12~(S)13~(R)14~(S)17~(R))312dihydroxy1013dimethyl23456789111214151617tetradecahydro1~(H)cyclopenta(a)phenanthren17yl)pentanamide
(R)Nbenzyl4((3R5R8R9S10S12S13R14S17R)312dihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)pentanamide
71691987
86678913
InChI=1SC31H47NO3c120(91429(35)3219217546821)25121326241110221723(33)151630(222)27(24)1828(34)31(2526)3h482022283334H919H213H3(H3235)t20222324+2526+27+28+30+31m1s1
NBENZYL3ALPHA12ALPHADIHYDROXY5BETACHOLAN24OICAMIDE
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)NCc1ccccc1)C)C)C
ZINC000072325372
ZINC72325372
Check stock
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Check stock on Vitas-MAvailable files
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