Vitas-M small molecule compound
(E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}{4-[(2-methylbenzyl)oxy]phenyl}methanolate
Catalog ID
STK565715
SMILES O=C1C(=O)/C(=C(\c2ccc(cc2)OCc2ccccc2C)/[O-])/C(N1CCCn1c[nH+]cc1)c1cccs1
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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 C29H27N3O4S MW 513.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O4S/c1-20-6-2-3-7-22(20)18-36-23-11-9-21(10-12-23)27(33)25-26(24-8-4-17-37-24)32(29(35)28(25)34)15-5-14-31-16-13-30-19-31/h2-4,6-13,16-17,19,26,33H,5,14-15,18H2,1H3/b27-25+InChIKey
BDNBYRUXHCGHQT-IMVLJIQESA-NSynonyms
575461-30-2(4E)4(HYDROXY(4((2METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)5THIOPHEN2YLPYRROLIDINE23DIONE
(E)(1(3(1Himidazol3ium1yl)propyl)45dioxo2(thiophen2yl)pyrrolidin3ylidene)(4((2methylbenzyl)oxy)phenyl)methanolate
575461302
CC1=CC=CC=C1COC2=CC=C(C=C2)C(=C3C(N(C(=O)C3=O)CCCN4C=CN=C4)C5=CC=CS5)O
InChI=1SC29H27N3O4Sc120623722(20)18362311921(101223)27(33)2526(2484173724)32(29(35)28(25)34)15514311613301931h246131617192633H5141518H21H3b2725+
MFCD18244853
O=C1C(=O)C(=C(c2ccc(cc2)OCc2ccccc2C)(O))C(N1CCCn1c(nH+)cc1)c1cccs1
ZINC000102536915
ZINC000102536925
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