Vitas-M small molecule compound
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(3-ethoxy-4-propoxyphenyl)-1-{5-[(naphthalen-1-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-2,3-dione
Catalog ID
STK574528
SMILES CCCOc1ccc(cc1OCC)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 C37H33N3O7S2 MW 695.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H33N3O7S2/c1-3-16-45-27-14-12-23(19-29(27)44-4-2)32-31(33(41)24-13-15-28-30(20-24)47-18-17-46-28)34(42)35(43)40(32)36-38-39-37(49-36)48-21-25-10-7-9-22-8-5-6-11-26(22)25/h5-15,19-20,32,41H,3-4,16-18,21H2,1-2H3/b33-31+InChIKey
UAMJXCQTGNPPDF-QOSDPKFLSA-NSynonyms
618855-74-6(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(3ethoxy4propoxyphenyl)1(5((naphthalen1ylmethyl)sulfanyl)134thiadiazol2yl)pyrrolidine23dione
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3ETHOXY4PROPOXYPHENYL)1(5(NAPHTHALEN1YLMETHYLSULFANYL)134THIADIAZOL2YL)PYRROLIDINE23DIONE
618855746
CCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NN=C(S5)SCC6=CC=CC7=CC=CC=C76)OCC
CCCOc1ccc(cc1OCC)C1N(c2nnc(s2)SCc2cccc3c2cccc3)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)O
InChI=1SC37H33N3O7S2c13164527141223(1929(27)4442)3231(33(41)2413152830(2024)4718174628)34(42)35(43)40(32)36383937(4936)4821251079228561126(22)25h51519203241H34161821H212H3b3331+
MFCD07198154
ZINC000150467204
ZINC000150467211
Check stock
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Check stock on Vitas-MAvailable files
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