Vitas-M small molecule compound

(3alpha,5beta,12alpha)-3,12-dihydroxy-N-(3,4,5-trifluorophenyl)cholan-24-amide

Catalog ID
STL538336
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)Nc1cc(F)c(c(c1)F)F)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 C30H42F3NO3 MW 521.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H42F3NO3/c1-16(4-9-27(37)34-18-13-24(31)28(33)25(32)14-18)21-7-8-22-20-6-5-17-12-19(35)10-11-29(17,2)23(20)15-26(36)30(21,22)3/h13-14,16-17,19-23,26,35-36H,4-12,15H2,1-3H3,(H,34,37)/t16-,17-,19-,20+,21-,22+,23+,26+,29+,30-/m1/s1
InChIKey
FXHUROIZHOHVJQ-VODUERFLSA-N
Synonyms

(3alpha5beta12alpha)312dihydroxyN(345trifluorophenyl)cholan24amide
(4~(R))4((3~(R)5~(R)8~(R)9~(S)10~(S)12~(S)13~(R)14~(S)17~(R))312dihydroxy1013dimethyl23456789111214151617tetradecahydro1~(H)cyclopenta(a)phenanthren17yl)~(N)(345trifluorophenyl)pentanamide
(R)4((3R5R8R9S10S12S13R14S17R)312dihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)N(345trifluorophenyl)pentanamide
71692361
InChI=1SC30H42F3NO3c116(4927(37)34181324(31)28(33)25(32)1418)2178222065171219(35)101129(172)23(20)1526(36)30(2122)3h131416171923263536H41215H213H3(H3437)t16171920+2122+23+26+29+30m1s1
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)Nc1cc(F)c(c(c1)F)F)C)C)C
ZINC000072326254
ZINC72326254

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Available files

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