Vitas-M small molecule compound
cholest-5-en-3-yl {[3-(2-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}acetate
Catalog ID
STK888536
SMILES COc1ccccc1c1coc2c(c1=O)ccc(c2)OCC(=O)OC1CCC2(C(=CCC3C2CCC2(C3CCC2C(CCCC(C)C)C)C)C1)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 C45H58O6 MW 694.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C45H58O6/c1-28(2)10-9-11-29(3)37-18-19-38-34-16-14-30-24-32(20-22-44(30,4)39(34)21-23-45(37,38)5)51-42(46)27-49-31-15-17-35-41(25-31)50-26-36(43(35)47)33-12-7-8-13-40(33)48-6/h7-8,12-15,17,25-26,28-29,32,34,37-39H,9-11,16,18-24,27H2,1-6H3InChIKey
DGNGIKTWZPCLBK-UHFFFAOYSA-NSynonyms
(1013dimethyl17(6methylheptan2yl)234789111214151617dodecahydro1Hcyclopenta(a)phenanthren3yl)2(3(2methoxyphenyl)4oxochromen7yl)oxyacetate
(3S8S9S10R13R17R)1013dimethyl17((R)6methylheptan2yl)2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl2((3(2methoxyphenyl)4oxo4Hchromen7yl)oxy)acetate
CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)COC5=CC6=C(C=C5)C(=O)C(=CO6)C7=CC=CC=C7OC)C)C
cholest5en3yl((3(2methoxyphenyl)4oxo4Hchromen7yl)oxy)acetate
COc1ccccc1c1coc2c(c1=O)ccc(c2)OCC(=O)O(C@H)1CC(C@)2(C(=CC(C@@H)3(C@@H)2CC(C@)2(C3CC(C@@H)2(C@@H)(CCCC(C)C)C)C)C1)C
InChI=1SC45H58O6c128(2)1091129(3)37181938341614302432(202244(304)39(34)212345(3738)5)5142(46)27493115173541(2531)502636(43(35)47)3312781340(33)486h781215172526282932343739H91116182427H216H3
MFCD03756766
ZINC000253497723
ZINC000253497732
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