Vitas-M small molecule compound
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(3-ethoxyphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STK569930
SMILES CCOc1cccc(c1)C1N(c2nc3c(s2)cc(cc3)C)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/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 C29H24N2O6S MW 528.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N2O6S/c1-3-35-19-6-4-5-17(14-19)25-24(26(32)18-8-10-21-22(15-18)37-12-11-36-21)27(33)28(34)31(25)29-30-20-9-7-16(2)13-23(20)38-29/h4-10,13-15,25,32H,3,11-12H2,1-2H3/b26-24+InChIKey
PUMJZQMHRNTNPD-SHHOIMCASA-NSynonyms
618858-96-1(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(3ethoxyphenyl)1(6methyl13benzothiazol2yl)pyrrolidine23dione
618858961
CCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NC6=C(S5)C=C(C=C6)C
CCOc1cccc(c1)C1N(c2nc3c(s2)cc(cc3)C)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)O
InChI=1SC29H24N2O6Sc13351964517(1419)2524(26(32)188102122(1518)3712113621)27(33)28(34)31(25)2930209716(2)1323(20)3829h41013152532H31112H212H3b2624+
MFCD05736715
ZINC000102559685
ZINC000102559694
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