Vitas-M small molecule compound
(E)-{2-(3,4-dichlorophenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL054036
SMILES CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)Cl)Cl)CCCn1c[nH+]cc1)/[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 C26H23Cl2N3O4 MW 512.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23Cl2N3O4/c1-15-11-18-12-17(4-6-21(18)35-15)24(32)22-23(16-3-5-19(27)20(28)13-16)31(26(34)25(22)33)9-2-8-30-10-7-29-14-30/h3-7,10,12-15,23,32H,2,8-9,11H2,1H3/b24-22+InChIKey
XBCYGHQJRDOKSI-ZNTNEXAZSA-NSynonyms
850826-91-4(4E)5(34DICHLOROPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)PYRROLIDINE23DIONE
(E)(2(34dichlorophenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
850826914
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CCCN4C=CN=C4)C5=CC(=C(C=C5)Cl)Cl)O
CC1Oc2c(C1)cc(cc2)C(=C1C(=O)C(=O)N(C1c1ccc(c(c1)Cl)Cl)CCCn1c(nH+)cc1)(O)
InChI=1SC26H23Cl2N3O4c11511181217(4621(18)3515)24(32)2223(163519(27)20(28)1316)31(26(34)25(22)33)92830107291430h371012152332H28911H21H3b2422+
MFCD18249573
ZINC000102770770
ZINC000102770777
Check stock
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Check stock on Vitas-MAvailable files
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