Vitas-M small molecule compound
(4E)-4-[hydroxy(4-methylphenyl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Catalog ID
STK566505
SMILES Cc1ccc(cc1)/C(=C\1/C(c2ccc(cc2)[N+](=O)[O-])N(C(=O)C1=O)c1sc2c(n1)ccc(c2)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 C26H19N3O5S MW 485.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19N3O5S/c1-14-3-6-17(7-4-14)23(30)21-22(16-8-10-18(11-9-16)29(33)34)28(25(32)24(21)31)26-27-19-12-5-15(2)13-20(19)35-26/h3-13,22,30H,1-2H3/b23-21+InChIKey
KHVWZZWBAKUMED-XTQSDGFTSA-NSynonyms
514188-78-4(4E)4(hydroxy(4methylphenyl)methylidene)1(6methyl13benzothiazol2yl)5(4nitrophenyl)pyrrolidine23dione
3HYDROXY1(6METHYLBENZOTHIAZOL2YL)4((4METHYLPHENYL)CARBONYL)5(4NITROPHENYL)3PYRROLIN2ONE
514188784
CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=NC4=C(S3)C=C(C=C4)C)C5=CC=C(C=C5)(N+)(=O)(O))O
Cc1ccc(cc1)C(=C1C(c2ccc(cc2)(N+)(=O)(O))N(C(=O)C1=O)c1sc2c(n1)ccc(c2)C)O
InChI=1SC26H19N3O5Sc1143617(7414)23(30)2122(1681018(11916)29(33)34)28(25(32)24(21)31)26271912515(2)1320(19)3526h3132230H12H3b2321+
MFCD03802611
ZINC000102542229
ZINC000102542238
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