Vitas-M small molecule compound

(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-[3-ethoxy-4-(pentyloxy)phenyl]-1-{5-[(naphthalen-1-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-2,3-dione

Catalog ID
STK579472
SMILES CCCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1nnc(s1)SCc1cccc2c1cccc2

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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 C39H37N3O7S2 MW 723.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H37N3O7S2/c1-3-5-8-18-47-29-16-14-25(21-31(29)46-4-2)34-33(35(43)26-15-17-30-32(22-26)49-20-19-48-30)36(44)37(45)42(34)38-40-41-39(51-38)50-23-27-12-9-11-24-10-6-7-13-28(24)27/h6-7,9-17,21-22,34,43H,3-5,8,18-20,23H2,1-2H3/b35-33+
InChIKey
VLPMQSJEXNBJOA-LAPDZXRHSA-N
Synonyms
618855-78-0
(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(3ethoxy4(pentyloxy)phenyl)1(5((naphthalen1ylmethyl)sulfanyl)134thiadiazol2yl)pyrrolidine23dione
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3ETHOXY4PENTOXYPHENYL)1(5(NAPHTHALEN1YLMETHYLSULFANYL)134THIADIAZOL2YL)PYRROLIDINE23DIONE
618855780
CCCCCOC1=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
CCCCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1nnc(s1)SCc1cccc2c1cccc2
InChI=1SC39H37N3O7S2c1358184729161425(2131(29)4642)3433(35(43)2615173032(2226)4920194830)36(44)37(45)42(34)38404139(5138)502327129112410671328(24)27h6791721223443H358182023H212H3b3533+
MFCD07200557
ZINC000150471538
ZINC000150471540

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Available files

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