Vitas-M small molecule compound
(E)-{2-(4-bromophenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(7-methoxy-1-benzofuran-2-yl)methanolate
Catalog ID
STK562902
SMILES COc1cccc2c1oc(c2)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)Br)CCC[NH+]1CCOCC1)/[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 C27H27BrN2O6 MW 555.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27BrN2O6/c1-34-20-5-2-4-18-16-21(36-26(18)20)24(31)22-23(17-6-8-19(28)9-7-17)30(27(33)25(22)32)11-3-10-29-12-14-35-15-13-29/h2,4-9,16,23,31H,3,10-15H2,1H3/b24-22+InChIKey
BVZVESSTBOXCAW-ZNTNEXAZSA-NSynonyms
(E)(2(4bromophenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(7methoxy1benzofuran2yl)methanolate
COc1cccc2c1oc(c2)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)Br)CCC(NH+)1CCOCC1)(O)
MFCD18244153
ZINC000102516263
ZINC000102516269
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