Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-(3-phenoxyphenyl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STL041757
SMILES [O-]/C(=C\1/C(=O)C(=O)N(C1c1cccc(c1)Oc1ccccc1)CCCn1cc[nH+]c1)/c1ccc2c(c1)OCCO2
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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 C31H27N3O6 MW 537.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27N3O6/c35-29(22-10-11-25-26(19-22)39-17-16-38-25)27-28(21-6-4-9-24(18-21)40-23-7-2-1-3-8-23)34(31(37)30(27)36)14-5-13-33-15-12-32-20-33/h1-4,6-12,15,18-20,28,35H,5,13-14,16-17H2/b29-27+InChIKey
QWMGWDLQHBYAKR-ORIPQNMZSA-NSynonyms
577765-28-7(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)5(3PHENOXYPHENYL)PYRROLIDINE23DIONE
(E)23dihydro14benzodioxin6yl(1(3(1Himidazol3ium1yl)propyl)45dioxo2(3phenoxyphenyl)pyrrolidin3ylidene)methanolate
(O)C(=C1C(=O)C(=O)N(C1c1cccc(c1)Oc1ccccc1)CCCn1cc(nH+)c1)c1ccc2c(c1)OCCO2
577765287
C1COC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CCCN4C=CN=C4)C5=CC(=CC=C5)OC6=CC=CC=C6)O
InChI=1SC31H27N3O6c3529(2210112526(1922)3917163825)2728(2164924(1821)40237213823)34(31(37)30(27)36)14513331512322033h146121518202835H513141617H2b2927+
MFCD18248118
ZINC000102870362
ZINC000102870368
Check stock
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Check stock on Vitas-MAvailable files
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