Vitas-M small molecule compound
(E)-[4,5-dioxo-1-(pyridinium-4-ylmethyl)-2-(thiophen-2-yl)pyrrolidin-3-ylidene]{4-[(3-methylbenzyl)oxy]phenyl}methanolate
Catalog ID
STK600301
SMILES Cc1cccc(c1)COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccs1)Cc1cc[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 C29H24N2O4S MW 496.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N2O4S/c1-19-4-2-5-21(16-19)18-35-23-9-7-22(8-10-23)27(32)25-26(24-6-3-15-36-24)31(29(34)28(25)33)17-20-11-13-30-14-12-20/h2-16,26,32H,17-18H2,1H3/b27-25+InChIKey
XGEGJSUUADXEMQ-IMVLJIQESA-NSynonyms
836630-90-1(4E)4(HYDROXY(4((3METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)1(PYRIDIN4YLMETHYL)5THIOPHEN2YLPYRROLIDINE23DIONE
(E)(45dioxo1(pyridin1ium4ylmethyl)2thiophen2ylpyrrolidin3ylidene)(4((3methylphenyl)methoxy)phenyl)methanolate
(E)(45dioxo1(pyridinium4ylmethyl)2(thiophen2yl)pyrrolidin3ylidene)(4((3methylbenzyl)oxy)phenyl)methanolate
836630901
CC1=CC(=CC=C1)COC2=CC=C(C=C2)C(=C3C(N(C(=O)C3=O)CC4=CC=(NH+)C=C4)C5=CC=CS5)(O)
Cc1cccc(c1)COc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1cccs1)Cc1cc(nH+)cc1)(O)
InChI=1SC29H24N2O4Sc11942521(1619)1835239722(81023)27(32)2526(2463153624)31(29(34)28(25)33)1720111330141220h2162632H1718H21H3b2725+
MFCD07202263
ZINC000102689604
ZINC000102689608
Check stock
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Check stock on Vitas-MAvailable files
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