Vitas-M small molecule compound
(3alpha,5beta,7beta,8xi)-N-(4-acetylphenyl)-3,7-dihydroxycholan-24-amide
Catalog ID
STL536435
SMILES O[C@@H]1CC[C@]2([C@@H](C1)C[C@@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)Nc1ccc(cc1)C(=O)C)C)C)O)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 C32H47NO4 MW 509.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H47NO4/c1-19(5-12-29(37)33-23-8-6-21(7-9-23)20(2)34)25-10-11-26-30-27(14-16-32(25,26)4)31(3)15-13-24(35)17-22(31)18-28(30)36/h6-9,19,22,24-28,30,35-36H,5,10-18H2,1-4H3,(H,33,37)/t19-,22+,24-,25-,26+,27+,28+,30+,31+,32-/m1/s1InChIKey
FORWRDQSUGFECJ-MKSKTOIOSA-NSynonyms
(3alpha5beta7beta8xi)N(4acetylphenyl)37dihydroxycholan24amide
(4~(R))~(N)(4acetylphenyl)4((3~(R)5~(S)7~(S)8~(R)9~(S)10~(S)13~(R)14~(S)17~(R))37dihydroxy1013dimethyl23456789111214151617tetradecahydro1~(H)cyclopenta(a)phenanthren17yl)pentanamide
(R)N(4acetylphenyl)4((3R5S7S8R9S10S13R14S17R)37dihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)pentanamide
52994327
InChI=1SC32H47NO4c119(51229(37)33238621(7923)20(2)34)251011263027(141632(2526)4)31(3)151324(35)1722(31)1828(30)36h6919222428303536H51018H214H3(H3337)t1922+242526+27+28+30+31+32m1s1
O(C@@H)1CC(C@)2((C@@H)(C1)C(C@@H)((C@@H)1(C@@H)2CC(C@)2((C@H)1CC(C@@H)2(C@@H)(CCC(=O)Nc1ccc(cc1)C(=O)C)C)C)O)C
ZINC000070666124
ZINC70666124
Check stock
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Check stock on Vitas-MAvailable files
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