Vitas-M small molecule compound

3,7-dihydroxy-N-(3-methoxypropyl)cholan-24-amide

Catalog ID
STL470803
SMILES COCCCNC(=O)CCC(C1CCC2C1(C)CCC1C2C(O)CC2C1(C)CCC(C2)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 C28H49NO4 MW 463.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H49NO4/c1-18(6-9-25(32)29-14-5-15-33-4)21-7-8-22-26-23(11-13-28(21,22)3)27(2)12-10-20(30)16-19(27)17-24(26)31/h18-24,26,30-31H,5-17H2,1-4H3,(H,29,32)
InChIKey
IGENMVDLKGZRKB-UHFFFAOYSA-N
Synonyms

(R)4((3R5S7S8R9S10S13R14S17R)37dihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)N(3methoxypropyl)pentanamide
37dihydroxyN(3methoxypropyl)cholan24amide
4(37dihydroxy1013dimethyl23456789111214151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)N(3methoxypropyl)pentanamide
CC(CCC(=O)NCCCOC)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C
COCCCNC(=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
InChI=1SC28H49NO4c118(6925(32)2914515334)2178222623(111328(2122)3)27(2)121020(30)1619(27)1724(26)31h1824263031H517H214H3(H2932)
MFCD31751110
ZINC000334161781
ZINC000334161784

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Available files

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