Vitas-M small molecule compound
(4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(4-methoxyphenyl)methylidene]-5-(3-nitrophenyl)pyrrolidine-2,3-dione
Catalog ID
STL047107
SMILES COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])c1sc2c(n1)c(C)cc(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 C27H21N3O6S MW 515.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N3O6S/c1-14-11-15(2)22-20(12-14)37-27(28-22)29-23(17-5-4-6-18(13-17)30(34)35)21(25(32)26(29)33)24(31)16-7-9-19(36-3)10-8-16/h4-13,23,31H,1-3H3/b24-21+InChIKey
JXTFJQRDGFLVNG-DARPEHSRSA-NSynonyms
514194-26-4(4E)1(46dimethyl13benzothiazol2yl)4(hydroxy(4methoxyphenyl)methylidene)5(3nitrophenyl)pyrrolidine23dione
1(46DIMETHYLBENZOTHIAZOL2YL)3HYDROXY4((4METHOXYPHENYL)CARBONYL)5(3NITROPHENYL)3PYRROLIN2ONE
514194264
CC1=CC(=C2C(=C1)SC(=N2)N3C(C(=C(C4=CC=C(C=C4)OC)O)C(=O)C3=O)C5=CC(=CC=C5)(N+)(=O)(O))C
COc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1cccc(c1)(N+)(=O)(O))c1sc2c(n1)c(C)cc(c2)C)O
InChI=1SC27H21N3O6Sc1141115(2)2220(1214)3727(2822)2923(1754618(1317)30(34)35)21(25(32)26(29)33)24(31)167919(363)10816h4132331H13H3b2421+
MFCD03796293
ZINC000102882490
ZINC000102882493
Check stock
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