Vitas-M small molecule compound

(3beta)-cholest-5-en-3-yl [(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetate

Catalog ID
STL457266
SMILES CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)OC(=O)COc1ccc2c(c1)oc(=O)cc2C)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 C39H54O5 MW 602.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H54O5/c1-24(2)8-7-9-25(3)32-14-15-33-31-12-10-27-21-29(16-18-38(27,5)34(31)17-19-39(32,33)6)43-37(41)23-42-28-11-13-30-26(4)20-36(40)44-35(30)22-28/h10-11,13,20,22,24-25,29,31-34H,7-9,12,14-19,21,23H2,1-6H3/t25-,29+,31+,32-,33+,34+,38+,39-/m1/
InChIKey
IZYSQEAJYKMVQY-ZJUJYQCMSA-N
Synonyms
1039715-05-3
((3S8S9S10R13R14S17R)1013dimethyl17((2R)6methylheptan2yl)234789111214151617dodecahydro1Hcyclopenta(a)phenanthren3yl)2(4methyl2oxochromen7yl)oxyacetate
(3beta)cholest5en3yl((4methyl2oxo2Hchromen7yl)oxy)acetate
(3S8S9S10R13R14S17R)1013dimethyl17((R)6methylheptan2yl)2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl2((4methyl2oxo2Hchromen7yl)oxy)acetate
1039715053
CC(CCC(C@H)((C@H)1CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CC=C2(C@)1(C)CC(C@@H)(C2)OC(=O)COc1ccc2c(c1)oc(=O)cc2C)C)C
CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)OC3CCC4(C5CCC6(C(C5CC=C4C3)CCC6C(C)CCCC(C)C)C)C
InChI=1SC39H54O5c124(2)87925(3)32141533311210272129(161838(275)34(31)171939(3233)6)4337(41)23422811133026(4)2036(40)4435(30)2228h10111320222425293134H791214192123H216H3t2529+31+3233+34+38+39m1s1
MFCD02058899
ZINC000070670041
ZINC70670041

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Available files

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