Vitas-M small molecule compound
24-[4-(4-fluorophenyl)piperazin-1-yl]-3,7-dihydroxycholan-24-one
Catalog ID
STL470835
SMILES OC1CCC2(C(C1)CC(C1C2CCC2(C1CCC2C(CCC(=O)N1CCN(CC1)c1ccc(cc1)F)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 C34H51FN2O3 MW 554.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H51FN2O3/c1-22(4-11-31(40)37-18-16-36(17-19-37)25-7-5-24(35)6-8-25)27-9-10-28-32-29(13-15-34(27,28)3)33(2)14-12-26(38)20-23(33)21-30(32)39/h5-8,22-23,26-30,32,38-39H,4,9-21H2,1-3H3InChIKey
CENCPECIAWKQEY-UHFFFAOYSA-NSynonyms
(R)4((3R5S7S8R9S10S13R14S17R)37dihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)1(4(4fluorophenyl)piperazin1yl)pentan1one
24(4(4fluorophenyl)piperazin1yl)37dihydroxycholan24one
4(37dihydroxy1013dimethyl23456789111214151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)1(4(4fluorophenyl)piperazin1yl)pentan1one
CC(CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)F)C3CCC4C3(CCC5C4C(CC6C5(CCC(C6)O)C)O)C
InChI=1SC34H51FN2O3c122(41131(40)37181636(171937)257524(35)6825)27910283229(131534(2728)3)33(2)141226(38)2023(33)2130(32)39h5822232630323839H4921H213H3
MFCD31751140
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)c1ccc(cc1)F)C)C)O)C
ZINC000334161442
ZINC000334161451
Check stock
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Check stock on Vitas-MAvailable files
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