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-(pentyloxy)phenyl]pyrrolidine-2,3-dione

Catalog ID
STL056496
SMILES CCCCCOc1cccc(c1)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 C31H27ClN2O6S MW 591.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27ClN2O6S/c1-2-3-4-12-38-21-7-5-6-18(15-21)27-26(28(35)19-8-11-23-24(16-19)40-14-13-39-23)29(36)30(37)34(27)31-33-22-10-9-20(32)17-25(22)41-31/h5-11,15-17,27,35H,2-4,12-14H2,1H3/b28-26+
InChIKey
AYBUJEOBRYMCMU-BYCLXTJYSA-N
Synonyms
618858-67-6
(4E)1(6chloro13benzothiazol2yl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(3(pentyloxy)phenyl)pyrrolidine23dione
(4E)1(6CHLORO13BENZOTHIAZOL2YL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3PENTOXYPHENYL)PYRROLIDINE23DIONE
618858676
CCCCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NC6=C(S5)C=C(C=C6)Cl
CCCCCOc1cccc(c1)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)Cl
InChI=1SC31H27ClN2O6Sc123412382175618(1521)2726(28(35)198112324(1619)4014133923)29(36)30(37)34(27)31332210920(32)1725(22)4131h51115172735H241214H21H3b2826+
MFCD05737935
ZINC000102895888
ZINC000102895891

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.