Vitas-M small molecule compound
(4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(3-methoxyphenyl)methylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Catalog ID
STK609966
SMILES COc1cccc(c1)/C(=C\1/C(c2ccc(cc2)[N+](=O)[O-])N(C(=O)C1=O)c1nc2c(s1)cc(cc2C)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(16-7-9-18(10-8-16)30(34)35)21(25(32)26(29)33)24(31)17-5-4-6-19(13-17)36-3/h4-13,23,31H,1-3H3/b24-21+InChIKey
AFQHFMXQWASFCF-DARPEHSRSA-NSynonyms
607687-97-8(4E)1(46dimethyl13benzothiazol2yl)4(hydroxy(3methoxyphenyl)methylidene)5(4nitrophenyl)pyrrolidine23dione
1(46DIMETHYLBENZOTHIAZOL2YL)3HYDROXY4((3METHOXYPHENYL)CARBONYL)5(4NITROPHENYL)3PYRROLIN2ONE
607687978
CC1=CC(=C2C(=C1)SC(=N2)N3C(C(=C(C4=CC(=CC=C4)OC)O)C(=O)C3=O)C5=CC=C(C=C5)(N+)(=O)(O))C
COc1cccc(c1)C(=C1C(c2ccc(cc2)(N+)(=O)(O))N(C(=O)C1=O)c1nc2c(s1)cc(cc2C)C)O
InChI=1SC27H21N3O6Sc1141115(2)2220(1214)3727(2822)2923(167918(10816)30(34)35)21(25(32)26(29)33)24(31)1754619(1317)363h4132331H13H3b2421+
MFCD08732321
ZINC000102706464
ZINC000102706472
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