Vitas-M small molecule compound

3,7-dihydroxy-N-(2-phenylethyl)cholan-24-amide

Catalog ID
STL470817
SMILES OC1CCC2(C(C1)CC(C1C2CCC2(C1CCC2C(CCC(=O)NCCc1ccccc1)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 C32H49NO3 MW 495.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H49NO3/c1-21(9-12-29(36)33-18-15-22-7-5-4-6-8-22)25-10-11-26-30-27(14-17-32(25,26)3)31(2)16-13-24(34)19-23(31)20-28(30)35/h4-8,21,23-28,30,34-35H,9-20H2,1-3H3,(H,33,36)
InChIKey
MHVKIFFTUGYXIJ-UHFFFAOYSA-N
Synonyms

(R)4((3R5S7S8R9S10S13R14S17R)37dihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)Nphenethylpentanamide
37dihydroxyN(2phenylethyl)cholan24amide
4(37dihydroxy1013dimethyl23456789111214151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)N(2phenylethyl)pentanamide
CC(CCC(=O)NCCC1=CC=CC=C1)C2CCC3C2(CCC4C3C(CC5C4(CCC(C5)O)C)O)C
InChI=1SC32H49NO3c121(91229(36)331815227546822)251011263027(141732(2526)3)31(2)161324(34)1923(31)2028(30)35h48212328303435H920H213H3(H3336)
MFCD31751123
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)NCCc1ccccc1)C)C)O)C
ZINC000334162007
ZINC000334162012

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Available files

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