Vitas-M small molecule compound
(4E)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(4-methoxyphenyl)methylidene]-5-(3-nitrophenyl)pyrrolidine-2,3-dione
Catalog ID
STK619846
SMILES COc1ccc(cc1)/C(=C\1/C(c2cccc(c2)[N+](=O)[O-])N(C(=O)C1=O)c1sc2c(n1)ccc(c2)CC)/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/c1-3-15-7-12-20-21(13-15)37-27(28-20)29-23(17-5-4-6-18(14-17)30(34)35)22(25(32)26(29)33)24(31)16-8-10-19(36-2)11-9-16/h4-14,23,31H,3H2,1-2H3/b24-22+InChIKey
MAVHYCQQGALTDE-ZNTNEXAZSA-NSynonyms
618421-54-8(4E)1(6ethyl13benzothiazol2yl)4(hydroxy(4methoxyphenyl)methylidene)5(3nitrophenyl)pyrrolidine23dione
1(6ETHYLBENZOTHIAZOL2YL)3HYDROXY4((4METHOXYPHENYL)CARBONYL)5(3NITROPHENYL)3PYRROLIN2ONE
618421548
CCC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC=C(C=C4)OC)O)C(=O)C3=O)C5=CC(=CC=C5)(N+)(=O)(O)
COc1ccc(cc1)C(=C1C(c2cccc(c2)(N+)(=O)(O))N(C(=O)C1=O)c1sc2c(n1)ccc(c2)CC)O
InChI=1SC27H21N3O6Sc13157122021(1315)3727(2820)2923(1754618(1417)30(34)35)22(25(32)26(29)33)24(31)1681019(362)11916h4142331H3H212H3b2422+
MFCD09792951
ZINC000102719213
ZINC000102719216
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