Vitas-M small molecule compound

(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione

Catalog ID
STK597704
SMILES COc1ccc2c(c1)sc(n2)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C1c1ccc(cc1)[N+](=O)[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 C27H19N3O8S MW 545.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19N3O8S/c1-36-17-7-8-18-21(13-17)39-27(28-18)29-23(14-2-5-16(6-3-14)30(34)35)22(25(32)26(29)33)24(31)15-4-9-19-20(12-15)38-11-10-37-19/h2-9,12-13,23,31H,10-11H2,1H3/b24-22+
InChIKey
ZAVRANYWLLCGAE-ZNTNEXAZSA-N
Synonyms
578722-38-0
(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(6methoxy13benzothiazol2yl)5(4nitrophenyl)pyrrolidine23dione
578722380
COC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC5=C(C=C4)OCCO5)O)C(=O)C3=O)C6=CC=C(C=C6)(N+)(=O)(O)
COc1ccc2c(c1)sc(n2)N1C(=O)C(=O)C(=C(c2ccc3c(c2)OCCO3)O)C1c1ccc(cc1)(N+)(=O)(O)
InChI=1SC27H19N3O8Sc13617781821(1317)3927(2818)2923(142516(6314)30(34)35)22(25(32)26(29)33)24(31)15491920(1215)3811103719h2912132331H1011H21H3b2422+
MFCD07207803
ZINC000102623635
ZINC000102623639

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Available files

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