Vitas-M small molecule compound

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

Catalog ID
STL457640
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)cc2)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 C38H52O5 MW 588.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H52O5/c1-24(2)7-6-8-25(3)31-14-15-32-30-13-11-27-21-29(17-19-37(27,4)33(30)18-20-38(31,32)5)42-36(40)23-41-28-12-9-26-10-16-35(39)43-34(26)22-28/h9-12,16,22,24-25,29-33H,6-8,13-15,17-21,23H2,1-5H3/t25-,29+,30+,31-,32+,33+,37+,38-/m1/s1
InChIKey
ZGMZFSHMKBKTCU-DXKUJIHNSA-N
Synonyms
1029131-61-0
((3S8S9S10R13R14S17R)1013dimethyl17((2R)6methylheptan2yl)234789111214151617dodecahydro1Hcyclopenta(a)phenanthren3yl)2(2oxochromen7yl)oxyacetate
(3beta)cholest5en3yl((2oxo2Hchromen7yl)oxy)acetate
(3S8S9S10R13R14S17R)1013dimethyl17((R)6methylheptan2yl)2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl2((2oxo2Hchromen7yl)oxy)acetate
1029131610
CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)COC5=CC6=C(C=C5)C=CC(=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)cc2)C)C
InChI=1SC38H52O5c124(2)76825(3)31141532301311272129(171937(274)33(30)182038(3132)5)4236(40)23412812926101635(39)4334(26)2228h912162224252933H681315172123H215H3t2529+30+3132+33+37+38m1s1
MFCD02059443
ZINC000070670055
ZINC70670055

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Available files

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