Vitas-M small molecule compound
ethyl 4-[(3alpha,5beta,12alpha)-3,12-dihydroxy-24-oxocholan-24-yl]piperazine-1-carboxylate
Catalog ID
STL538726
SMILES CCOC(=O)N1CCN(CC1)C(=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 C31H52N2O5 MW 532.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H52N2O5/c1-5-38-29(37)33-16-14-32(15-17-33)28(36)11-6-20(2)24-9-10-25-23-8-7-21-18-22(34)12-13-30(21,3)26(23)19-27(35)31(24,25)4/h20-27,34-35H,5-19H2,1-4H3/t20-,21-,22-,23+,24-,25+,26+,27+,30+,31-/m1/s1InChIKey
GFGBLIVVHHYJQM-YIHQWROLSA-NSynonyms
71692372
CCOC(=O)N1CCN(CC1)C(=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
ethyl4((3alpha5beta12alpha)312dihydroxy24oxocholan24yl)piperazine1carboxylate
ethyl4((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)pentanoyl)piperazine1carboxylate
ethyl4((R)4((3R5R8R9S10S12S13R14S17R)312dihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)pentanoyl)piperazine1carboxylate
InChI=1SC31H52N2O5c153829(37)33161432(151733)28(36)11620(2)24910252387211822(34)121330(213)26(23)1927(35)31(2425)4h20273435H519H214H3t20212223+2425+26+27+30+31m1s1
ZINC000072326275
ZINC72326275
Check stock
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Check stock on Vitas-MAvailable files
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