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-[4-(pentyloxy)phenyl]pyrrolidine-2,3-dione
Catalog ID
STL050160
SMILES CCCCCOc1ccc(cc1)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/c1-2-3-4-13-38-21-9-5-18(6-10-21)27-26(28(35)19-7-12-23-24(16-19)40-15-14-39-23)29(36)30(37)34(27)31-33-22-11-8-20(32)17-25(22)41-31/h5-12,16-17,27,35H,2-4,13-15H2,1H3/b28-26+InChIKey
SNPXSSCYTVELPD-BYCLXTJYSA-NSynonyms
(4E)1(6chloro13benzothiazol2yl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(4(pentyloxy)phenyl)pyrrolidine23dione
(4E)1(6CHLORO13BENZOTHIAZOL2YL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(4PENTOXYPHENYL)PYRROLIDINE23DIONE
CCCCCOC1=CC=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
CCCCCOc1ccc(cc1)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)Cl
InChI=1SC31H27ClN2O6Sc12341338219518(61021)2726(28(35)197122324(1619)4015143923)29(36)30(37)34(27)31332211820(32)1725(22)4131h51216172735H241315H21H3b2826+
MFCD05736014
ZINC000102886331
ZINC000102886333
Check stock
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Check stock on Vitas-MAvailable files
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