Vitas-M small molecule compound
(4E)-5-[4-(benzyloxy)-3-methoxyphenyl]-1-(6-chloro-1,3-benzothiazol-2-yl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione
Catalog ID
STL052168
SMILES COc1cc(ccc1OCc1ccccc1)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 C34H25ClN2O7S MW 641.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H25ClN2O7S/c1-41-26-15-20(7-11-24(26)44-18-19-5-3-2-4-6-19)30-29(31(38)21-8-12-25-27(16-21)43-14-13-42-25)32(39)33(40)37(30)34-36-23-10-9-22(35)17-28(23)45-34/h2-12,15-17,30,38H,13-14,18H2,1H3/b31-29+InChIKey
IEOXKJNPQFGQCR-OWWNRXNESA-NSynonyms
618858-30-3(4E)1(6CHLORO13BENZOTHIAZOL2YL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3METHOXY4PHENYLMETHOXYPHENYL)PYRROLIDINE23DIONE
(4E)5(4(benzyloxy)3methoxyphenyl)1(6chloro13benzothiazol2yl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)pyrrolidine23dione
618858303
COC1=C(C=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NC6=C(S5)C=C(C=C6)Cl)OCC7=CC=CC=C7
COc1cc(ccc1OCc1ccccc1)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)Cl
InChI=1SC34H25ClN2O7Sc141261520(71124(26)4418195324619)3029(31(38)218122527(1621)4314134225)32(39)33(40)37(30)34362310922(35)1728(23)4534h21215173038H131418H21H3b3129+
MFCD05737298
ZINC000150460658
ZINC000150460662
Check stock
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Check stock on Vitas-MAvailable files
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