Vitas-M small molecule compound
(4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(4-methoxy-3-methylphenyl)methylidene]-5-(3-nitrophenyl)pyrrolidine-2,3-dione
Catalog ID
STK608238
SMILES COc1ccc(cc1C)/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 C28H23N3O6S MW 529.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23N3O6S/c1-14-10-16(3)23-21(11-14)38-28(29-23)30-24(17-6-5-7-19(13-17)31(35)36)22(26(33)27(30)34)25(32)18-8-9-20(37-4)15(2)12-18/h5-13,24,32H,1-4H3/b25-22+InChIKey
ZEMCOQGAIBXAPQ-YYDJUVGSSA-NSynonyms
618418-43-2(4E)1(46dimethyl13benzothiazol2yl)4(hydroxy(4methoxy3methylphenyl)methylidene)5(3nitrophenyl)pyrrolidine23dione
1(46DIMETHYLBENZOTHIAZOL2YL)3HYDROXY4((4METHOXY3METHYLPHENYL)CARBONYL)5(3NITROPHENYL)3PYRROLIN2ONE
618418432
CC1=CC(=C2C(=C1)SC(=N2)N3C(C(=C(C4=CC(=C(C=C4)OC)C)O)C(=O)C3=O)C5=CC(=CC=C5)(N+)(=O)(O))C
COc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1cccc(c1)(N+)(=O)(O))c1sc2c(n1)c(C)cc(c2)C)O
InChI=1SC28H23N3O6Sc1141016(3)2321(1114)3828(2923)3024(1765719(1317)31(35)36)22(26(33)27(30)34)25(32)188920(374)15(2)1218h5132432H14H3b2522+
MFCD08734774
ZINC000102704416
ZINC000102704423
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