Vitas-M small molecule compound
(3alpha,5beta,12alpha)-3,12-dihydroxy-N-(2-methoxybenzyl)cholan-24-amide
Catalog ID
STL538561
SMILES COc1ccccc1CNC(=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(9-14-30(36)33-19-21-7-5-6-8-28(21)37-4)25-12-13-26-24-11-10-22-17-23(34)15-16-31(22,2)27(24)18-29(35)32(25,26)3/h5-8,20,22-27,29,34-35H,9-19H2,1-4H3,(H,33,36)/t20-,22-,23-,24+,25-,26+,27+,29+,31+,32-/m1/s1InChIKey
PVAGFVAGLLUTLO-AHXXUNFLSA-NSynonyms
(3alpha5beta12alpha)312dihydroxyN(2methoxybenzyl)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)((2methoxyphenyl)methyl)pentanamide
(R)4((3R5R8R9S10S12S13R14S17R)312dihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)N(2methoxybenzyl)pentanamide
71691982
COc1ccccc1CNC(=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(91430(36)331921756828(21)374)25121326241110221723(34)151631(222)27(24)1829(35)32(2526)3h58202227293435H919H214H3(H3336)t20222324+2526+27+29+31+32m1s1
ZINC000072325357
ZINC72325357
Check stock
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