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-(prop-2-en-1-yloxy)phenyl]pyrrolidine-2,3-dione
Catalog ID
STK568458
SMILES C=CCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1nc2c(s1)cc(cc2C)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 C31H26N2O6S MW 554.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26N2O6S/c1-4-10-37-21-7-5-6-19(15-21)27-25(28(34)20-8-9-22-23(16-20)39-12-11-38-22)29(35)30(36)33(27)31-32-26-18(3)13-17(2)14-24(26)40-31/h4-9,13-16,27,34H,1,10-12H2,2-3H3/b28-25+InChIKey
DWWUSAYEPIEKOY-AZPGRJICSA-NSynonyms
(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(46dimethyl13benzothiazol2yl)5(3(prop2en1yloxy)phenyl)pyrrolidine23dione
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(46DIMETHYL13BENZOTHIAZOL2YL)5(3PROP2ENOXYPHENYL)PYRROLIDINE23DIONE
C=CCOc1cccc(c1)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1nc2c(s1)cc(cc2C)C
CC1=CC(=C2C(=C1)SC(=N2)N3C(C(=C(C4=CC5=C(C=C4)OCCO5)O)C(=O)C3=O)C6=CC(=CC=C6)OCC=C)C
InChI=1SC31H26N2O6Sc1410372175619(1521)2725(28(34)20892223(1620)3912113822)29(35)30(36)33(27)31322618(3)1317(2)1424(26)4031h4913162734H11012H223H3b2825+
MFCD05737631
ZINC000101313899
ZINC000101313901
Check stock
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Check stock on Vitas-MAvailable files
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