Vitas-M small molecule compound

(3alpha,5beta,7beta,8xi)-24-(4-acetylpiperazin-1-yl)-3,7-dihydroxycholan-24-one

Catalog ID
STL536501
SMILES O[C@@H]1CC[C@]2([C@@H](C1)C[C@@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)N1CCN(CC1)C(=O)C)C)C)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 C30H50N2O4 MW 502.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H50N2O4/c1-19(5-8-27(36)32-15-13-31(14-16-32)20(2)33)23-6-7-24-28-25(10-12-30(23,24)4)29(3)11-9-22(34)17-21(29)18-26(28)35/h19,21-26,28,34-35H,5-18H2,1-4H3/t19-,21+,22-,23-,24+,25+,26+,28+,29+,30-/m1/s1
InChIKey
QLJGSVSZRKHDSC-HLXOTOIPSA-N
Synonyms

(3alpha5beta7beta8xi)24(4acetylpiperazin1yl)37dihydroxycholan24one
(4~(R))1(4acetylpiperazin1yl)4((3~(R)5~(S)7~(S)8~(R)9~(S)10~(S)13~(R)14~(S)17~(R))37dihydroxy1013dimethyl23456789111214151617tetradecahydro1~(H)cyclopenta(a)phenanthren17yl)pentan1one
(R)1(4acetylpiperazin1yl)4((3R5S7S8R9S10S13R14S17R)37dihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)pentan1one
52994355
InChI=1SC30H50N2O4c119(5827(36)32151331(141632)20(2)33)2367242825(101230(2324)4)29(3)11922(34)1721(29)1826(28)35h192126283435H518H214H3t1921+222324+25+26+28+29+30m1s1
O(C@@H)1CC(C@)2((C@@H)(C1)C(C@@H)((C@@H)1(C@@H)2CC(C@)2((C@H)1CC(C@@H)2(C@@H)(CCC(=O)N1CCN(CC1)C(=O)C)C)C)O)C
ZINC000070666138
ZINC70666138

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Available files

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