Vitas-M small molecule compound

(3alpha,5beta,12alpha)-3,12-dihydroxy-N-(4-methoxybenzyl)cholan-24-amide

Catalog ID
STL538577
SMILES COc1ccc(cc1)CNC(=O)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)[C@@H](O)C[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@H](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 C32H49NO4 MW 511.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H49NO4/c1-20(5-14-30(36)33-19-21-6-9-24(37-4)10-7-21)26-12-13-27-25-11-8-22-17-23(34)15-16-31(22,2)28(25)18-29(35)32(26,27)3/h6-7,9-10,20,22-23,25-29,34-35H,5,8,11-19H2,1-4H3,(H,33,36)/t20-,22-,23-,25+,26-,27+,28+,29+,31+,32-/m1/s1
InChIKey
SXQVUYJKMHMQFB-CWULNNSLSA-N
Synonyms

(3alpha5beta12alpha)312dihydroxyN(4methoxybenzyl)cholan24amide
(4~(R))4((3~(R)5~(R)8~(R)9~(S)10~(S)12~(S)13~(R)14~(S)17~(R))312dihydroxy1013dimethyl23456789111214151617tetradecahydro1~(H)cyclopenta(a)phenanthren17yl)~(N)((4methoxyphenyl)methyl)pentanamide
(R)4((3R5R8R9S10S12S13R14S17R)312dihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)N(4methoxybenzyl)pentanamide
71753600
COc1ccc(cc1)CNC(=O)CC(C@H)((C@H)1CC(C@@H)2(C@)1(C)(C@@H)(O)C(C@H)1(C@H)2CC(C@H)2(C@)1(C)CC(C@H)(C2)O)C
InChI=1SC32H49NO4c120(51430(36)3319216924(374)10721)2612132725118221723(34)151631(222)28(25)1829(35)32(2627)3h6791020222325293435H581119H214H3(H3336)t20222325+2627+28+29+31+32m1s1
ZINC000072325059
ZINC72325059

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Available files

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