Vitas-M small molecule compound

(13E,15S)-1-(8-cyclohexyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)-15-hydroxyprost-13-ene-1,9-dione

Catalog ID
STL562485
SMILES CCCCC[C@@H](/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)N1CCn2c3C1CCCc3c1c2ccc(c1)C1CCCCC1)O

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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 C40H58N2O3 MW 614.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H58N2O3/c1-2-3-7-15-32(43)23-20-30-22-25-38(44)33(30)16-10-4-5-11-19-39(45)41-26-27-42-36-24-21-31(29-13-8-6-9-14-29)28-35(36)34-17-12-18-37(41)40(34)42/h20-21,23-24,28-30,32-33,37,43H,2-19,22,25-27H2,1H3/b23-20+/t30-,32-,33+,37?/m0/s1
InChIKey
WRWFLDJHLRERQU-UNWVFXKCSA-N
Synonyms
956992-19-1
(13E15S)1(8cyclohexyl123a456hexahydro3Hpyrazino(321jk)carbazol3yl)15hydroxyprost13ene19dione
(2R3R)2(7(12cyclohexyl14diazatetracyclo(761051601015)hexadeca9(16)10(15)1113tetraen4yl)7oxoheptyl)3((E3S)3hydroxyoct1enyl)cyclopentan1one
(2R3R)2(7(8cyclohexyl3a456tetrahydro1Hpyrazino(321jk)carbazol3(2H)yl)7oxoheptyl)3((SE)3hydroxyoct1en1yl)cyclopentanone
16397326
956992191
CCCCC(C@@H)(C=C(C@H)1CCC(=O)(C@@H)1CCCCCCC(=O)N1CCn2c3C1CCCc3c1c2ccc(c1)C1CCCCC1)O
InChI=1SC40H58N2O3c12371532(43)232030222538(44)33(30)161045111939(45)4126274236242131(29138691429)2835(36)3417121837(41)40(34)42h20212324283032333743H219222527H21H3b2320+t303233+37?m0s1
ZINC000070670197
ZINC000070670198

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Available files

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