Vitas-M small molecule compound
N-benzyl-3,7-dihydroxycholan-24-amide
Catalog ID
STL470821
SMILES OC1CCC2(C(C1)CC(C1C2CCC2(C1CCC2C(CCC(=O)NCc1ccccc1)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 C31H47NO3 MW 481.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H47NO3/c1-20(9-12-28(35)32-19-21-7-5-4-6-8-21)24-10-11-25-29-26(14-16-31(24,25)3)30(2)15-13-23(33)17-22(30)18-27(29)34/h4-8,20,22-27,29,33-34H,9-19H2,1-3H3,(H,32,35)InChIKey
YJXVFRWCHMYWTD-UHFFFAOYSA-NSynonyms
(R)Nbenzyl4((3R5S7S8R9S10S13R14S17R)37dihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)pentanamide
CC(CCC(=O)NCC1=CC=CC=C1)C2CCC3C2(CCC4C3C(CC5C4(CCC(C5)O)C)O)C
InChI=1SC31H47NO3c120(91228(35)3219217546821)241011252926(141631(2425)3)30(2)151323(33)1722(30)1827(29)34h48202227293334H919H213H3(H3235)
MFCD31751127
Nbenzyl37dihydroxycholan24amide
Nbenzyl4(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)NCc1ccccc1)C)C)O)C
ZINC000334162723
ZINC000334162727
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