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-methylphenyl)pyrrolidine-2,3-dione

Catalog ID
STK586111
SMILES COc1ccc2c(c1)sc(n2)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C1c1ccc(cc1)C

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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 C28H22N2O6S MW 514.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N2O6S/c1-15-3-5-16(6-4-15)24-23(25(31)17-7-10-20-21(13-17)36-12-11-35-20)26(32)27(33)30(24)28-29-19-9-8-18(34-2)14-22(19)37-28/h3-10,13-14,24,31H,11-12H2,1-2H3/b25-23+
InChIKey
MVHKTIMSHCQZAQ-WJTDDFOZSA-N
Synonyms
586985-26-4
(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(6methoxy13benzothiazol2yl)5(4methylphenyl)pyrrolidine23dione
586985264
CC1=CC=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NC6=C(S5)C=C(C=C6)OC
COc1ccc2c(c1)sc(n2)N1C(=O)C(=O)C(=C(c2ccc3c(c2)OCCO3)O)C1c1ccc(cc1)C
InChI=1SC28H22N2O6Sc1153516(6415)2423(25(31)177102021(1317)3612113520)26(32)27(33)30(24)2829199818(342)1422(19)3728h31013142431H1112H212H3b2523+
MFCD07210546
ZINC000102671673
ZINC000102671676

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Available files

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