Vitas-M small molecule compound

(2S,8'R)-7-chloro-4'-hydroxy-4,6-dimethoxy-1',8'-dimethyl-5'-(4-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-5-yl)-5',8',9',10'-tetrahydro-2'H,3H-spiro[1-benzofuran-2,7'-pyrimido[4,5-b]quinoline]-2',3,6'(1'H)-trione

Catalog ID
STL551792
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC2=C(C1=O)C(c1c(N2)n(C)c(=O)nc1O)c1cc2cccc3c2n(c1=O)CC3)Cl

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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 C33H27ClN4O8 MW 643.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H27ClN4O8/c1-13-10-17-21(27(39)33(13)28(40)22-18(44-3)12-19(45-4)24(34)26(22)46-33)20(23-29(35-17)37(2)32(43)36-30(23)41)16-11-15-7-5-6-14-8-9-38(25(14)15)31(16)42/h5-7,11-13,20,35H,8-10H2,1-4H3,(H,36,41,43)/t13-,20?,33+/m1/s1
InChIKey
FNQQDKOMRYUQLA-LBWGWGSESA-N
Synonyms

(2~(S)8~(R))7chloro46dimethoxy18dimethyl5(11oxo1azatricyclo(6310^(412))dodeca468(12)9tetraen10yl)spiro(1benzofuran2758910tetrahydropyrimido(45b)quinoline)2346tetrone
(2S8R)7chloro4hydroxy46dimethoxy18dimethyl5(4oxo12dihydro4Hpyrrolo(321ij)quinolin5yl)58910tetrahydro2H3Hspiro(1benzofuran27pyrimido(45b)quinoline)236(1H)trione
132351949
InChI=1SC33H27ClN4O8c113101721(27(39)33(13)28(40)2218(443)1219(454)24(34)26(22)4633)20(2329(3517)37(2)32(43)3630(23)41)161115756148938(25(14)15)31(16)42h5711132035H810H214H3(H364143)t1320?33+m1s1
ZINC000824566755
ZINC000824566756

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Available files

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