Vitas-M small molecule compound
(4E)-1-(6-chloro-1,3-benzothiazol-2-yl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-[3-methoxy-4-(pentyloxy)phenyl]pyrrolidine-2,3-dione
Catalog ID
STL041607
SMILES CCCCCOc1ccc(cc1OC)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)Cl
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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 C32H29ClN2O7S MW 621.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29ClN2O7S/c1-3-4-5-12-40-22-10-6-18(15-24(22)39-2)28-27(29(36)19-7-11-23-25(16-19)42-14-13-41-23)30(37)31(38)35(28)32-34-21-9-8-20(33)17-26(21)43-32/h6-11,15-17,28,36H,3-5,12-14H2,1-2H3/b29-27+InChIKey
ALLZZIQAGJZKAE-ORIPQNMZSA-NSynonyms
(4E)1(6chloro13benzothiazol2yl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(3methoxy4(pentyloxy)phenyl)pyrrolidine23dione
(4E)1(6CHLORO13BENZOTHIAZOL2YL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3METHOXY4PENTOXYPHENYL)PYRROLIDINE23DIONE
CCCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NC6=C(S5)C=C(C=C6)Cl)OC
CCCCCOc1ccc(cc1OC)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)Cl
InChI=1SC32H29ClN2O7Sc134512402210618(1524(22)392)2827(29(36)197112325(1619)4214134123)30(37)31(38)35(28)3234219820(33)1726(21)4332h61115172836H351214H212H3b2927+
MFCD05737584
ZINC000102870335
ZINC000102870338
Check stock
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Check stock on Vitas-MAvailable files
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