Vitas-M small molecule compound

24-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-3,7-dihydroxycholan-24-one

Catalog ID
STL470853
SMILES COc1cc2CN(CCc2cc1OC)C(=O)CCC(C1CCC2C1(C)CCC1C2C(O)CC2C1(C)CCC(C2)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 C35H53NO5 MW 567.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H53NO5/c1-21(6-9-32(39)36-15-12-22-16-30(40-4)31(41-5)17-23(22)20-36)26-7-8-27-33-28(11-14-35(26,27)3)34(2)13-10-25(37)18-24(34)19-29(33)38/h16-17,21,24-29,33,37-38H,6-15,18-20H2,1-5H3
InChIKey
DETKEQLQOQBLCY-UHFFFAOYSA-N
Synonyms

(R)4((3R5S7S8R9S10S13R14S17R)37dihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)1(67dimethoxy34dihydroisoquinolin2(1H)yl)pentan1one
24(67dimethoxy34dihydroisoquinolin2(1H)yl)37dihydroxycholan24one
4(37dihydroxy1013dimethyl23456789111214151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)1(67dimethoxy34dihydro1Hisoquinolin2yl)pentan1one
CC(CCC(=O)N1CCC2=CC(=C(C=C2C1)OC)OC)C3CCC4C3(CCC5C4C(CC6C5(CCC(C6)O)C)O)C
COc1cc2CN(CCc2cc1OC)C(=O)CC(C@H)((C@H)1CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2(C@@H)(O)C(C@H)2(C@)1(C)CC(C@H)(C2)O)C
InChI=1SC35H53NO5c121(6932(39)361512221630(404)31(415)1723(22)2036)2678273328(111435(2627)3)34(2)131025(37)1824(34)1929(33)38h1617212429333738H6151820H215H3
MFCD31751152
ZINC000334161565
ZINC000334161568

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Available files

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