Vitas-M small molecule compound
(1'R,3R,3'R)-1'-acetyl-3'-(1,3-benzodioxol-5-ylcarbonyl)-3',3a'-dihydrospiro[indole-3,2'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Catalog ID
STL526877
SMILES O=C([C@H]1C2C=Cc3c(N2[C@H]([C@]21C(=O)Nc1c2cccc1)C(=O)C)cccc3)c1ccc2c(c1)OCO2
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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 C29H22N2O5 MW 478.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22N2O5/c1-16(32)27-29(19-7-3-4-8-20(19)30-28(29)34)25(22-12-10-17-6-2-5-9-21(17)31(22)27)26(33)18-11-13-23-24(14-18)36-15-35-23/h2-14,22,25,27H,15H2,1H3,(H,30,34)/t22?,25-,27+,29+/m1/s1InChIKey
BUIWPKQENKWJHJ-BZSAOOGJSA-NSynonyms
(1~(R)3~(R)3~(R))1acetyl3(13benzodioxole5carbonyl)spiro(1~(H)indole3233~(a)dihydro1~(H)pyrrolo(12a)quinoline)2one
(1R3R3R)1acetyl3(13benzodioxol5ylcarbonyl)33adihydrospiro(indole32pyrrolo(12a)quinolin)2(1H)one
135639202
InChI=1SC29H22N2O5c116(32)2729(19734820(19)3028(29)34)25(22121017625921(17)31(22)27)26(33)1811132324(1418)36153523h214222527H15H21H3(H3034)t22?2527+29+m1s1
MFCD03266166
ZINC001772492379
ZINC001772492380
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