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-(3-nitrophenyl)pyrrolidine-2,3-dione
Catalog ID
STL048663
SMILES Cc1cc(C)c2c(c1)sc(n2)N1C(c2cccc(c2)[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/c1-14-10-15(2)23-21(11-14)39-28(29-23)30-24(16-4-3-5-18(12-16)31(35)36)22(26(33)27(30)34)25(32)17-6-7-19-20(13-17)38-9-8-37-19/h3-7,10-13,24,32H,8-9H2,1-2H3/b25-22+InChIKey
VJRUVOHCRTVLLJ-YYDJUVGSSA-NSynonyms
618859-07-7(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(46dimethyl13benzothiazol2yl)5(3nitrophenyl)pyrrolidine23dione
618859077
CC1=CC(=C2C(=C1)SC(=N2)N3C(C(=C(C4=CC5=C(C=C4)OCCO5)O)C(=O)C3=O)C6=CC(=CC=C6)(N+)(=O)(O))C
Cc1cc(C)c2c(c1)sc(n2)N1C(c2cccc(c2)(N+)(=O)(O))C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C1=O
InChI=1SC28H21N3O7Sc1141015(2)2321(1114)3928(2923)3024(1643518(1216)31(35)36)22(26(33)27(30)34)25(32)17671920(1317)38983719h3710132432H89H212H3b2522+
MFCD05732494
ZINC000102884672
ZINC000102884674
Check stock
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