Vitas-M small molecule compound
(3alpha,5beta,12alpha)-3,12-dihydroxy-N-(2-methoxyphenyl)cholan-24-amide
Catalog ID
STL538663
SMILES COc1ccccc1NC(=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(9-14-29(35)32-26-7-5-6-8-27(26)36-4)23-12-13-24-22-11-10-20-17-21(33)15-16-30(20,2)25(22)18-28(34)31(23,24)3/h5-8,19-25,28,33-34H,9-18H2,1-4H3,(H,32,35)/t19-,20-,21-,22+,23-,24+,25+,28+,30+,31-/m1/s1InChIKey
JUEFEVUAKWLFGJ-PYAQVZDUSA-NSynonyms
(3alpha5beta12alpha)312dihydroxyN(2methoxyphenyl)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)pentanamide
(R)4((3R5R8R9S10S12S13R14S17R)312dihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)N(2methoxyphenyl)pentanamide
71691912
COc1ccccc1NC(=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(91429(35)3226756827(26)364)23121324221110201721(33)151630(202)25(22)1828(34)31(2324)3h581925283334H918H214H3(H3235)t19202122+2324+25+28+30+31m1s1
ZINC000072325184
ZINC72325184
Check stock
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