Vitas-M small molecule compound
(4E)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Catalog ID
STL050218
SMILES CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)[N+](=O)[O-])c1nc2c(s1)cc(cc2)C)/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 C28H21N3O6S MW 527.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21N3O6S/c1-14-3-9-20-22(11-14)38-28(29-20)30-24(16-4-7-19(8-5-16)31(35)36)23(26(33)27(30)34)25(32)17-6-10-21-18(13-17)12-15(2)37-21/h3-11,13,15,24,32H,12H2,1-2H3/b25-23+InChIKey
PHGPWOXZHLYLPG-WJTDDFOZSA-NSynonyms
877783-30-7(4E)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(6methyl13benzothiazol2yl)5(4nitrophenyl)pyrrolidine23dione
877783307
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC5=C(S4)C=C(C=C5)C)C6=CC=C(C=C6)(N+)(=O)(O))O
CC1Oc2c(C1)cc(cc2)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)(N+)(=O)(O))c1nc2c(s1)cc(cc2)C)O
InChI=1SC28H21N3O6Sc114392022(1114)3828(2920)3024(164719(8516)31(35)36)23(26(33)27(30)34)25(32)176102118(1317)1215(2)3721h31113152432H12H212H3b2523+
MFCD05728824
ZINC000102771132
ZINC000102771143
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