Vitas-M small molecule compound
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-[3-(prop-2-en-1-yloxy)phenyl]pyrrolidine-2,3-dione
Catalog ID
STL049639
SMILES C=CCOc1cccc(c1)C1N(c2nc3c(s2)cc(cc3)OCC)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 C31H26N2O7S MW 570.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26N2O7S/c1-3-12-38-20-7-5-6-18(15-20)27-26(28(34)19-8-11-23-24(16-19)40-14-13-39-23)29(35)30(36)33(27)31-32-22-10-9-21(37-4-2)17-25(22)41-31/h3,5-11,15-17,27,34H,1,4,12-14H2,2H3/b28-26+InChIKey
VGUJWRBRMFJYAD-BYCLXTJYSA-NSynonyms
(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(6ethoxy13benzothiazol2yl)5(3(prop2en1yloxy)phenyl)pyrrolidine23dione
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(6ETHOXY13BENZOTHIAZOL2YL)5(3PROP2ENOXYPHENYL)PYRROLIDINE23DIONE
C=CCOc1cccc(c1)C1N(c2nc3c(s2)cc(cc3)OCC)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)O
CCOC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC5=C(C=C4)OCCO5)O)C(=O)C3=O)C6=CC(=CC=C6)OCC=C
InChI=1SC31H26N2O7Sc1312382075618(1520)2726(28(34)198112324(1619)4014133923)29(35)30(36)33(27)31322210921(3742)1725(22)4131h351115172734H141214H22H3b2826+
MFCD05737104
ZINC000101316573
ZINC000101316574
Check stock
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Check stock on Vitas-MAvailable files
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