Vitas-M small molecule compound

24-[4-(diphenylmethyl)piperazin-1-yl]-3,7-dihydroxycholan-24-one

Catalog ID
STL470847
SMILES OC1CCC2(C(C1)CC(C1C2CCC2(C1CCC2C(CCC(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1)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 C41H58N2O3 MW 626.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H58N2O3/c1-28(33-15-16-34-38-35(19-21-41(33,34)3)40(2)20-18-32(44)26-31(40)27-36(38)45)14-17-37(46)42-22-24-43(25-23-42)39(29-10-6-4-7-11-29)30-12-8-5-9-13-30/h4-13,28,31-36,38-39,44-45H,14-27H2,1-3H3
InChIKey
YHXWXURQSKRCHA-UHFFFAOYSA-N
Synonyms

(R)1(4benzhydrylpiperazin1yl)4((3R5S7S8R9S10S13R14S17R)37dihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)pentan1one
1(4benzhydrylpiperazin1yl)4(37dihydroxy1013dimethyl23456789111214151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)pentan1one
24(4(diphenylmethyl)piperazin1yl)37dihydroxycholan24one
CC(CCC(=O)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)C4CCC5C4(CCC6C5C(CC7C6(CCC(C7)O)C)O)C
InChI=1SC41H58N2O3c128(331516343835(192141(3334)3)40(2)201832(44)2631(40)2736(38)45)141737(46)42222443(252342)39(29106471129)30128591330h41328313638394445H1427H213H3
MFCD31751148
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(c1ccccc1)c1ccccc1)C)C)O)C
ZINC000334162707
ZINC000334162710

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Available files

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