Vitas-M small molecule compound
24-(4-benzylpiperazin-1-yl)-3,7-dihydroxycholan-24-one
Catalog ID
STL470830
SMILES OC1CCC2(C(C1)CC(C1C2CCC2(C1CCC2C(CCC(=O)N1CCN(CC1)Cc1ccccc1)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 C35H54N2O3 MW 550.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H54N2O3/c1-24(9-12-32(40)37-19-17-36(18-20-37)23-25-7-5-4-6-8-25)28-10-11-29-33-30(14-16-35(28,29)3)34(2)15-13-27(38)21-26(34)22-31(33)39/h4-8,24,26-31,33,38-39H,9-23H2,1-3H3InChIKey
BIVSVAQJIFJHIC-UHFFFAOYSA-NSynonyms
(R)1(4benzylpiperazin1yl)4((3R5S7S8R9S10S13R14S17R)37dihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)pentan1onehydrochloride
1(4benzylpiperazin1yl)4(37dihydroxy1013dimethyl23456789111214151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)pentan1one
24(4benzylpiperazin1yl)37dihydroxycholan24one
CC(CCC(=O)N1CCN(CC1)CC2=CC=CC=C2)C3CCC4C3(CCC5C4C(CC6C5(CCC(C6)O)C)O)C
InChI=1SC35H54N2O3c124(91232(40)37191736(182037)23257546825)281011293330(141635(2829)3)34(2)151327(38)2126(34)2231(33)39h48242631333839H923H213H3
MFCD31751135
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)Cc1ccccc1)C)C)O)CCl
ZINC000334161412
ZINC000334161419
Check stock
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