Vitas-M small molecule compound
3,7-dihydroxy-24-(4-phenylpiperazin-1-yl)cholan-24-one
Catalog ID
STL470824
SMILES OC1CCC2(C(C1)CC(C1C2CCC2(C1CCC2C(CCC(=O)N1CCN(CC1)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 C34H52N2O3 MW 536.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H52N2O3/c1-23(9-12-31(39)36-19-17-35(18-20-36)25-7-5-4-6-8-25)27-10-11-28-32-29(14-16-34(27,28)3)33(2)15-13-26(37)21-24(33)22-30(32)38/h4-8,23-24,26-30,32,37-38H,9-22H2,1-3H3InChIKey
SBSGFXKYRBKWFP-UHFFFAOYSA-NSynonyms
(R)4((3R5S7S8R9S10S13R14S17R)37dihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)1(4phenylpiperazin1yl)pentan1one
37dihydroxy24(4phenylpiperazin1yl)cholan24one
4(37dihydroxy1013dimethyl23456789111214151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)1(4phenylpiperazin1yl)pentan1one
CC(CCC(=O)N1CCN(CC1)C2=CC=CC=C2)C3CCC4C3(CCC5C4C(CC6C5(CCC(C6)O)C)O)C
InChI=1SC34H52N2O3c123(91231(39)36191735(182036)257546825)271011283229(141634(2728)3)33(2)151326(37)2124(33)2230(32)38h4823242630323738H922H213H3
MFCD31751130
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)c1ccccc1)C)C)O)C
ZINC000334162374
ZINC000334162377
Check stock
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Check stock on Vitas-MAvailable files
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