Vitas-M small molecule compound
(5E)-5-[4-(benzyloxy)-5-methoxy-2-nitrobenzylidene]-3-(prop-2-yn-1-yl)-1,3-thiazolidine-2,4-dione
Catalog ID
STK178659
SMILES C#CCN1C(=O)S/C(=C/c2cc(OC)c(cc2[N+](=O)[O-])OCc2ccccc2)/C1=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 C21H16N2O6S MW 424.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N2O6S/c1-3-9-22-20(24)19(30-21(22)25)11-15-10-17(28-2)18(12-16(15)23(26)27)29-13-14-7-5-4-6-8-14/h1,4-8,10-12H,9,13H2,2H3/b19-11+InChIKey
XGQQMNHGONFLGE-YBFXNURJSA-NSynonyms
(5E)5((5METHOXY2NITRO4PHENYLMETHOXYPHENYL)METHYLIDENE)3PROP2YNYL13THIAZOLIDINE24DIONE
(5E)5(4(BENZYLOXY)5METHOXY2NITROBENZYLIDENE)3(PROP2YN1YL)13THIAZOLIDINE24DIONE
5(4(BENZYLOXY)2NITRO5METHOXYBENZYLIDENE)3(2PROPYNYL)13THIAZOLIDINE24DIONE
C#CCN1C(=O)SC(=Cc2cc(OC)c(cc2(N+)(=O)(O))OCc2ccccc2)C1=O
COC1=C(C=C(C(=C1)C=C2C(=O)N(C(=O)S2)CC#C)(N+)(=O)(O))OCC3=CC=CC=C3
InChI=1SC21H16N2O6Sc1392220(24)19(3021(22)25)11151017(282)18(1216(15)23(26)27)2913147546814h1481012H913H22H3b1911+
MFCD03068553
ZINC000000980028
ZINC00980028
ZINC980028
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