Vitas-M small molecule compound

N-[4-(acetylamino)phenyl]-3,7-dihydroxycholan-24-amide

Catalog ID
STL470804
SMILES OC1CCC2(C(C1)CC(C1C2CCC2(C1CCC2C(CCC(=O)Nc1ccc(cc1)NC(=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 C32H48N2O4 MW 524.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H48N2O4/c1-19(5-12-29(38)34-23-8-6-22(7-9-23)33-20(2)35)25-10-11-26-30-27(14-16-32(25,26)4)31(3)15-13-24(36)17-21(31)18-28(30)37/h6-9,19,21,24-28,30,36-37H,5,10-18H2,1-4H3,(H,33,35)(H,34,38)
InChIKey
QVYLTPPMOKJECZ-UHFFFAOYSA-N
Synonyms

(R)N(4acetamidophenyl)4((3R5S7S8R9S10S13R14S17R)37dihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)pentanamide
CC(CCC(=O)NC1=CC=C(C=C1)NC(=O)C)C2CCC3C2(CCC4C3C(CC5C4(CCC(C5)O)C)O)C
InChI=1SC32H48N2O4c119(51229(38)34238622(7923)3320(2)35)251011263027(141632(2526)4)31(3)151324(36)1721(31)1828(30)37h6919212428303637H51018H214H3(H3335)(H3438)
MFCD31751111
N(4(acetylamino)phenyl)37dihydroxycholan24amide
N(4acetamidophenyl)4(37dihydroxy1013dimethyl23456789111214151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)pentanamide
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)NC(=O)C)C)C)O)C
ZINC000334162251
ZINC000334162255

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.