Vitas-M small molecule compound
(E)-{1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(pyridin-3-yl)pyrrolidin-3-ylidene}(4-propoxyphenyl)methanolate
Catalog ID
STK558920
SMILES CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccnc1)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 C26H31N3O5 MW 465.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31N3O5/c1-2-15-34-21-8-6-19(7-9-21)24(30)22-23(20-5-3-10-27-18-20)29(26(32)25(22)31)12-4-11-28-13-16-33-17-14-28/h3,5-10,18,23,30H,2,4,11-17H2,1H3/b24-22+InChIKey
NEBMSUDMVCAUEG-ZNTNEXAZSA-NSynonyms
615271-63-1(E)(1(3(morpholin4ium4yl)propyl)45dioxo2(pyridin3yl)pyrrolidin3ylidene)(4propoxyphenyl)methanolate
615271631
CCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)3CCOCC3)C4=CN=CC=C4)(O)
CCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1cccnc1)CCC(NH+)1CCOCC1)(O)
InChI=1SC26H31N3O5c121534218619(7921)24(30)2223(205310271820)29(26(32)25(22)31)1241128131633171428h3510182330H241117H21H3b2422+
MFCD08729903
ZINC000102483250
ZINC000102483258
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