Vitas-M small molecule compound

(8S,16E)-5-methoxy-8-methyl-4-(1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)-4,8,9,10,11,13,14,15-octahydro-2H,6H-oxacyclotetradecino[3,4-g]chromene-2,6,12(3H)-trione

Catalog ID
STL539320
SMILES COc1c2C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/c2cc2c1C(CC(=O)O2)c1cc2ccccc2n(c1=O)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 C32H33NO7 MW 543.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H33NO7/c1-19-10-9-14-22(34)13-6-4-5-12-21-17-26-29(30(38-3)28(21)32(37)39-19)23(18-27(35)40-26)24-16-20-11-7-8-15-25(20)33(2)31(24)36/h5,7-8,11-12,15-17,19,23H,4,6,9-10,13-14,18H2,1-3H3/b12-5+/t19-,23?/m0/s1
InChIKey
RQAVPOWPCZBVGE-BBXVAFQCSA-N
Synonyms

(4~(S)12~(E))22methoxy4methyl20(1methyl2oxoquinolin3yl)317dioxatricyclo(12800^(1621))docosa1(22)121416(21)tetraene2818trione
(8S16E)5methoxy8methyl4(1methyl2oxo12dihydroquinolin3yl)4891011131415octahydro2H6Hoxacyclotetradecino(34g)chromene2612(3H)trione
(8SE)5methoxy8methyl4(1methyl2oxo12dihydroquinolin3yl)348910111415octahydro(1)oxacyclotetradecino(34g)chromene2612(13H)trione
71754071
COc1c2C(=O)O(C@@H)(C)CCCC(=O)CCCC=Cc2cc2c1C(CC(=O)O2)c1cc2ccccc2n(c1=O)C
InChI=1SC32H33NO7c1191091422(34)136451221172629(30(383)28(21)32(37)3919)23(1827(35)4026)24162011781525(20)33(2)31(24)36h578111215171923H46910131418H213H3b125+t1923?m0s1
ZINC000254771885
ZINC000254771887

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Available files

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