Vitas-M small molecule compound
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(3-ethoxyphenyl)-1-{5-[(naphthalen-1-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-2,3-dione
Catalog ID
STK582382
SMILES CCOc1cccc(c1)C1N(c2nnc(s2)SCc2cccc3c2cccc3)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 C34H27N3O6S2 MW 637.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H27N3O6S2/c1-2-41-24-11-6-9-21(17-24)29-28(30(38)22-13-14-26-27(18-22)43-16-15-42-26)31(39)32(40)37(29)33-35-36-34(45-33)44-19-23-10-5-8-20-7-3-4-12-25(20)23/h3-14,17-18,29,38H,2,15-16,19H2,1H3/b30-28+InChIKey
QTWKMCUUIUGIDG-SJCQXOIGSA-NSynonyms
618855-69-9(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(3ethoxyphenyl)1(5((naphthalen1ylmethyl)sulfanyl)134thiadiazol2yl)pyrrolidine23dione
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3ETHOXYPHENYL)1(5(NAPHTHALEN1YLMETHYLSULFANYL)134THIADIAZOL2YL)PYRROLIDINE23DIONE
618855699
CCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NN=C(S5)SCC6=CC=CC7=CC=CC=C76
CCOc1cccc(c1)C1N(c2nnc(s2)SCc2cccc3c2cccc3)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)O
InChI=1SC34H27N3O6S2c124124116921(1724)2928(30(38)2213142627(1822)4316154226)31(39)32(40)37(29)33353634(4533)4419231058207341225(20)23h31417182938H2151619H21H3b3028+
MFCD07209926
ZINC000150467662
ZINC000150467666
Check stock
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Check stock on Vitas-MAvailable files
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