Vitas-M small molecule compound
24-(3,4-dihydroisoquinolin-2(1H)-yl)-3,7-dihydroxycholan-24-one
Catalog ID
STL470849
SMILES OC1CCC2(C(C1)CC(C1C2CCC2(C1CCC2C(CCC(=O)N1CCc2c(C1)cccc2)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 C33H49NO3 MW 507.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H49NO3/c1-21(8-11-30(37)34-17-14-22-6-4-5-7-23(22)20-34)26-9-10-27-31-28(13-16-33(26,27)3)32(2)15-12-25(35)18-24(32)19-29(31)36/h4-7,21,24-29,31,35-36H,8-20H2,1-3H3InChIKey
MKQAFZMXXUQXAT-UHFFFAOYSA-NSynonyms
(R)1(34dihydroisoquinolin2(1H)yl)4((3R5S7S8R9S10S13R14S17R)37dihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)pentan1one
1(34dihydro1Hisoquinolin2yl)4(37dihydroxy1013dimethyl23456789111214151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)pentan1one
24(34dihydroisoquinolin2(1H)yl)37dihydroxycholan24one
CC(CCC(=O)N1CCC2=CC=CC=C2C1)C3CCC4C3(CCC5C4C(CC6C5(CCC(C6)O)C)O)C
InChI=1SC33H49NO3c121(81130(37)34171422645723(22)2034)26910273128(131633(2627)3)32(2)151225(35)1824(32)1929(31)36h47212429313536H820H213H3
MFCD31751150
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)N1CCc2c(C1)cccc2)C)C)O)C
ZINC000334162018
ZINC000334162023
Check stock
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Check stock on Vitas-MAvailable files
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