Vitas-M small molecule compound

3,7-dihydroxy-N-(6-methylheptan-2-yl)cholan-24-amide

Catalog ID
STL470833
SMILES CC(CCCC(NC(=O)CCC(C1CCC2C1(C)CCC1C2C(O)CC2C1(C)CCC(C2)O)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 C32H57NO3 MW 503.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H57NO3/c1-20(2)8-7-9-22(4)33-29(36)13-10-21(3)25-11-12-26-30-27(15-17-32(25,26)6)31(5)16-14-24(34)18-23(31)19-28(30)35/h20-28,30,34-35H,7-19H2,1-6H3,(H,33,36)
InChIKey
CKAJARLBNZXXTG-UHFFFAOYSA-N
Synonyms

(4R)4((3R5S7S8R9S10S13R14S17R)37dihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)N(6methylheptan2yl)pentanamide
37dihydroxyN(6methylheptan2yl)cholan24amide
4(37dihydroxy1013dimethyl23456789111214151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)N(6methylheptan2yl)pentanamide
CC(C)CCCC(C)NC(=O)CCC(C)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C
CC(CCCC(NC(=O)CC(C@H)((C@H)1CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2(C@@H)(O)C(C@H)2(C@)1(C)CC(C@H)(C2)O)C)C)C
InChI=1SC32H57NO3c120(2)87922(4)3329(36)131021(3)251112263027(151732(2526)6)31(5)161424(34)1823(31)1928(30)35h2028303435H719H216H3(H3336)
MFCD31751138
ZINC000334161461
ZINC000334161466

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Available files

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