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(3alpha,5beta,12alpha)-N-[1-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methyl-1H-pyrazol-5-yl]-3,12-dihydroxycholan-24-amide

Catalog ID
STL538488
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(nn1C1CCS(=O)(=O)C1)C)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 C32H51N3O5S MW 589.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H51N3O5S/c1-19(5-10-30(38)33-29-15-20(2)34-35(29)22-12-14-41(39,40)18-22)25-8-9-26-24-7-6-21-16-23(36)11-13-31(21,3)27(24)17-28(37)32(25,26)4/h15,19,21-28,36-37H,5-14,16-18H2,1-4H3,(H,33,38)/t19-,21-,22?,23-,24+,25-,26+,27+,28+,31+,32-/m1/s1
InChIKey
DKKONEQPPGSGEQ-WRMRAJSESA-N
Synonyms

(3alpha5beta12alpha)N(1(11dioxidotetrahydrothiophen3yl)3methyl1Hpyrazol5yl)312dihydroxycholan24amide
(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)(2(11dioxothiolan3yl)5methylpyrazol3yl)pentanamide
(4R)4((3R5R8R9S10S12S13R14S17R)312dihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)N(1(11dioxidotetrahydrothiophen3yl)3methyl1Hpyrazol5yl)pentanamide
71691865
InChI=1SC32H51N3O5Sc119(51030(38)33291520(2)3435(29)22121441(3940)1822)2589262476211623(36)111331(213)27(24)1728(37)32(2526)4h151921283637H5141618H214H3(H3338)t192122?2324+2526+27+28+31+32m1s1
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(nn1C1CCS(=O)(=O)C1)C)C)C)C
ZINC000072325091
ZINC000072325094

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Available files

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