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-methoxyphenyl)pyrrolidine-2,3-dione
Catalog ID
STL042125
SMILES COc1cccc(c1)C1N(c2sc3c(n2)c(C)cc(c3)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/c1-15-11-16(2)24-22(12-15)38-29(30-24)31-25(17-5-4-6-19(13-17)35-3)23(27(33)28(31)34)26(32)18-7-8-20-21(14-18)37-10-9-36-20/h4-8,11-14,25,32H,9-10H2,1-3H3/b26-23+InChIKey
OMXWJSMXODMSQO-WNAAXNPUSA-NSynonyms
618859-16-8(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(46dimethyl13benzothiazol2yl)5(3methoxyphenyl)pyrrolidine23dione
618859168
CC1=CC(=C2C(=C1)SC(=N2)N3C(C(=C(C4=CC5=C(C=C4)OCCO5)O)C(=O)C3=O)C6=CC(=CC=C6)OC)C
COc1cccc(c1)C1N(c2sc3c(n2)c(C)cc(c3)C)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)O
InChI=1SC29H24N2O6Sc1151116(2)2422(1215)3829(3024)3125(1754619(1317)353)23(27(33)28(31)34)26(32)18782021(1418)371093620h4811142532H910H213H3b2623+
MFCD05730031
ZINC000102869201
ZINC000102869204
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