Vitas-M small molecule compound
(4E)-4-(hydroxy{4-[(3-methylbenzyl)oxy]phenyl}methylidene)-1-[3-(1H-imidazol-1-yl)propyl]-5-(thiophen-2-yl)pyrrolidine-2,3-dione
Catalog ID
STK602243
SMILES Cc1cccc(c1)COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccs1)CCCn1cncc1)/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 C29H27N3O4S MW 513.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O4S/c1-20-5-2-6-21(17-20)18-36-23-10-8-22(9-11-23)27(33)25-26(24-7-3-16-37-24)32(29(35)28(25)34)14-4-13-31-15-12-30-19-31/h2-3,5-12,15-17,19,26,33H,4,13-14,18H2,1H3/b27-25+InChIKey
XPTORNUFISDIEU-IMVLJIQESA-NSynonyms
839703-15-0(4E)4(hydroxy(4((3methylbenzyl)oxy)phenyl)methylidene)1(3(1Himidazol1yl)propyl)5(thiophen2yl)pyrrolidine23dione
(4E)4(HYDROXY(4((3METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)5THIOPHEN2YLPYRROLIDINE23DIONE
839703150
CC1=CC(=CC=C1)COC2=CC=C(C=C2)C(=C3C(N(C(=O)C3=O)CCCN4C=CN=C4)C5=CC=CS5)O
Cc1cccc(c1)COc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1cccs1)CCCn1cncc1)O
InChI=1SC29H27N3O4Sc12052621(1720)18362310822(91123)27(33)2526(2473163724)32(29(35)28(25)34)14413311512301931h235121517192633H4131418H21H3b2725+
MFCD08731073
ZINC000102693332
ZINC000102693339
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