Vitas-M small molecule compound

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

Catalog ID
STL536600
SMILES COc1ccc(cc1)NC(=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 C31H47NO4 MW 497.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H47NO4/c1-19(5-14-29(35)32-21-7-9-23(36-4)10-8-21)25-12-13-26-24-11-6-20-17-22(33)15-16-30(20,2)27(24)18-28(34)31(25,26)3/h7-10,19-20,22,24-28,33-34H,5-6,11-18H2,1-4H3,(H,32,35)/t19-,20-,22-,24+,25-,26+,27+,28+,30+,31-/m1/s1
InChIKey
SGJUDIXMBRGXSX-JCCJDQBASA-N
Synonyms

(3alpha5beta12alpha)312dihydroxyN(4methoxyphenyl)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)pentanamide
(R)4((3R5R8R9S10S12S13R14S17R)312dihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)N(4methoxyphenyl)pentanamide
56723734
COc1ccc(cc1)NC(=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=1SC31H47NO4c119(51429(35)32217923(364)10821)2512132624116201722(33)151630(202)27(24)1828(34)31(2526)3h71019202224283334H561118H214H3(H3235)t19202224+2526+27+28+30+31m1s1
ZINC000070666267
ZINC70666267

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Available files

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