Vitas-M small molecule compound

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

Catalog ID
STL459703
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)c(c2C)Cc1ccccc1)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 C46H60O5 MW 692.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C46H60O5/c1-29(2)11-10-12-30(3)39-19-20-40-37-17-15-33-26-35(21-23-45(33,5)41(37)22-24-46(39,40)6)50-43(47)28-49-34-16-18-36-31(4)38(44(48)51-42(36)27-34)25-32-13-8-7-9-14-32/h7-9,13-16,18,27,29-30,35,37,39-41H,10-12,17,19-26,28H2,1-6H3/t30-,35+,
InChIKey
QBQLATUNXHRDMO-YOPNALNTSA-N
Synonyms
1029129-62-1
((3S8S9S10R13R14S17R)1013dimethyl17((2R)6methylheptan2yl)234789111214151617dodecahydro1Hcyclopenta(a)phenanthren3yl)2(3benzyl4methyl2oxochromen7yl)oxyacetate
(3beta)cholest5en3yl((3benzyl4methyl2oxo2Hchromen7yl)oxy)acetate
(3S8S9S10R13R14S17R)1013dimethyl17((R)6methylheptan2yl)2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl2((3benzyl4methyl2oxo2Hchromen7yl)oxy)acetate
1029129621
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)c(c2C)Cc1ccccc1)C)C
CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)OC3CCC4(C5CCC6(C(C5CC=C4C3)CCC6C(C)CCCC(C)C)C)C)CC7=CC=CC=C7
InChI=1SC46H60O5c129(2)11101230(3)39192040371715332635(212345(335)41(37)222446(3940)6)5043(47)28493416183631(4)38(44(48)5142(36)2734)2532138791432h7913161827293035373941H101217192628H216H3t3035+37+3940+41+45+46m1s1
MFCD02057738
ZINC000085888832
ZINC85888832

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Available files

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