Vitas-M small molecule compound

3,12-dihydroxy-24-(2-phenylmorpholin-4-yl)cholan-24-one

Catalog ID
STL511737
SMILES OC1CCC2(C(C1)CCC1C2CC(O)C2(C1CCC2C(CCC(=O)N1CCOC(C1)c1ccccc1)C)C)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 C34H51NO4 MW 537.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H51NO4/c1-22(9-14-32(38)35-17-18-39-30(21-35)23-7-5-4-6-8-23)27-12-13-28-26-11-10-24-19-25(36)15-16-33(24,2)29(26)20-31(37)34(27,28)3/h4-8,22,24-31,36-37H,9-21H2,1-3H3
InChIKey
XRFDMWGHJRKUTA-UHFFFAOYSA-N
Synonyms

(4R)4((3R5R8R9S10S12S13R14S17R)312dihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)1(2phenylmorpholino)pentan1one
312dihydroxy24(2phenylmorpholin4yl)cholan24one
4(312dihydroxy1013dimethyl23456789111214151617tetradecahydro1~(H)cyclopenta(a)phenanthren17yl)1(2phenylmorpholin4yl)pentan1one
78149727
InChI=1SC34H51NO4c122(91432(38)3517183930(2135)237546823)27121328261110241925(36)151633(242)29(26)2031(37)34(2728)3h482224313637H921H213H3
MFCD31751810
O(C@@H)1CC(C@)2((C@@H)(C1)CC(C@@H)1(C@@H)2C(C@H)(O)(C@)2((C@H)1CC(C@@H)2(C@@H)(CCC(=O)N1CCOC(C1)c1ccccc1)C)C)C
ZINC000504461621
ZINC000504461628

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Available files

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