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Vitas-M small molecule compound

(3beta)-cholest-5-en-3-yl [(4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy]acetate

Catalog ID
STL458707
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)c1c2CCC1)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 C41H56O5 MW 628.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H56O5/c1-25(2)8-6-9-26(3)34-16-17-35-33-14-12-27-22-29(18-20-40(27,4)36(33)19-21-41(34,35)5)45-38(42)24-44-28-13-15-31-30-10-7-11-32(30)39(43)46-37(31)23-28/h12-13,15,23,25-26,29,33-36H,6-11,14,16-22,24H2,1-5H3/t26-,29+,33+,34-,35+,36+,40+,41-
InChIKey
CGVJWBXSEAMLGF-FWMQCYCKSA-N
Synonyms
1042419-43-1
((3S8S9S10R13R14S17R)1013dimethyl17((2R)6methylheptan2yl)234789111214151617dodecahydro1Hcyclopenta(a)phenanthren3yl)2((4oxo23dihydro1Hcyclopenta(c)chromen7yl)oxy)acetate
(3beta)cholest5en3yl((4oxo1234tetrahydrocyclopenta(c)chromen7yl)oxy)acetate
(3S8S9S10R13R14S17R)1013dimethyl17((R)6methylheptan2yl)2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl2((4oxo1234tetrahydrocyclopenta(c)chromen7yl)oxy)acetate
1042419431
CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)COC5=CC6=C(C=C5)C7=C(CCC7)C(=O)O6)C)C
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)c1c2CCC1)C)C
InChI=1SC41H56O5c125(2)86926(3)34161735331412272229(182040(274)36(33)192141(3435)5)4538(42)244428131531301071132(30)39(43)4637(31)2328h121315232526293336H61114162224H215H3t2629+33+3435+36+40+41m1s1
MFCD02059053
ZINC000079204356
ZINC79204356

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Available files

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