Vitas-M small molecule compound

(E)-2,3-dihydro-1,4-benzodioxin-6-yl{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate

Catalog ID
STK559007
SMILES Cc1ccc(cc1)C1N(CCCn2c[nH+]cc2)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/[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 C26H25N3O5 MW 459.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O5/c1-17-3-5-18(6-4-17)23-22(24(30)19-7-8-20-21(15-19)34-14-13-33-20)25(31)26(32)29(23)11-2-10-28-12-9-27-16-28/h3-9,12,15-16,23,30H,2,10-11,13-14H2,1H3/b24-22+
InChIKey
DEQFKPWVHDTFIW-ZNTNEXAZSA-N
Synonyms
618410-06-3
(E)23dihydro14benzodioxin6yl(1(3(1Himidazol3ium1yl)propyl)2(4methylphenyl)45dioxopyrrolidin3ylidene)methanolate
618410063
CC1=CC=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CCCN5C=CN=C5
Cc1ccc(cc1)C1N(CCCn2c(nH+)cc2)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)(O)
InChI=1SC26H25N3O5c1173518(6417)2322(24(30)19782021(1519)3414133320)25(31)26(32)29(23)1121028129271628h391215162330H210111314H21H3b2422+
MFCD08732889
ZINC000102641411
ZINC000102641413

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Available files

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