Vitas-M small molecule compound
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Catalog ID
STK567877
SMILES Cc1cc(C)c2c(c1)sc(n2)N1C(c2ccc(cc2)[N+](=O)[O-])/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C1=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 C28H21N3O7S MW 543.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21N3O7S/c1-14-11-15(2)23-21(12-14)39-28(29-23)30-24(16-3-6-18(7-4-16)31(35)36)22(26(33)27(30)34)25(32)17-5-8-19-20(13-17)38-10-9-37-19/h3-8,11-13,24,32H,9-10H2,1-2H3/b25-22+InChIKey
RIXJNUVAJPSGGL-YYDJUVGSSA-NSynonyms
577698-42-1(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(46dimethyl13benzothiazol2yl)5(4nitrophenyl)pyrrolidine23dione
577698421
CC1=CC(=C2C(=C1)SC(=N2)N3C(C(=C(C4=CC5=C(C=C4)OCCO5)O)C(=O)C3=O)C6=CC=C(C=C6)(N+)(=O)(O))C
Cc1cc(C)c2c(c1)sc(n2)N1C(c2ccc(cc2)(N+)(=O)(O))C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C1=O
InChI=1SC28H21N3O7Sc1141115(2)2321(1214)3928(2923)3024(163618(7416)31(35)36)22(26(33)27(30)34)25(32)17581920(1317)381093719h3811132432H910H212H3b2522+
MFCD05727162
ZINC000102549677
ZINC000102549682
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