Vitas-M small molecule compound
(4E)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Catalog ID
STK595178
SMILES COc1ccc2c(c1)sc(n2)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)CC(O3)C)/O)/C1c1ccc(cc1)[N+](=O)[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 C28H21N3O7S MW 543.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21N3O7S/c1-14-11-17-12-16(5-10-21(17)38-14)25(32)23-24(15-3-6-18(7-4-15)31(35)36)30(27(34)26(23)33)28-29-20-9-8-19(37-2)13-22(20)39-28/h3-10,12-14,24,32H,11H2,1-2H3/b25-23+InChIKey
NLEDXEDYSGBOAT-WJTDDFOZSA-NSynonyms
897835-83-5(4E)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(6methoxy13benzothiazol2yl)5(4nitrophenyl)pyrrolidine23dione
897835835
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC5=C(S4)C=C(C=C5)OC)C6=CC=C(C=C6)(N+)(=O)(O))O
COc1ccc2c(c1)sc(n2)N1C(=O)C(=O)C(=C(c2ccc3c(c2)CC(O3)C)O)C1c1ccc(cc1)(N+)(=O)(O)
InChI=1SC28H21N3O7Sc11411171216(51021(17)3814)25(32)2324(153618(7415)31(35)36)30(27(34)26(23)33)2829209819(372)1322(20)3928h31012142432H11H212H3b2523+
MFCD07209213
ZINC000102617066
ZINC000102677759
Check stock
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