Vitas-M small molecule compound
(4E)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-(3-nitrophenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STK589032
SMILES CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])c1nccs1)/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 C23H17N3O6S MW 463.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17N3O6S/c1-12-9-15-10-14(5-6-17(15)32-12)20(27)18-19(13-3-2-4-16(11-13)26(30)31)25(22(29)21(18)28)23-24-7-8-33-23/h2-8,10-12,19,27H,9H2,1H3/b20-18+InChIKey
LMUUSAYYUAWVSM-CZIZESTLSA-NSynonyms
900284-31-3(4E)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)5(3nitrophenyl)1(13thiazol2yl)pyrrolidine23dione
900284313
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC=CS4)C5=CC(=CC=C5)(N+)(=O)(O))O
CC1Oc2c(C1)cc(cc2)C(=C1C(=O)C(=O)N(C1c1cccc(c1)(N+)(=O)(O))c1nccs1)O
InChI=1SC23H17N3O6Sc1129151014(5617(15)3212)20(27)1819(1332416(1113)26(30)31)25(22(29)21(18)28)2324783323h2810121927H9H21H3b2018+
MFCD07198584
ZINC000102604457
ZINC000102674050
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