Vitas-M small molecule compound

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

Catalog ID
STK599541
SMILES CCOc1cc(ccc1OCCC(C)C)C1N(c2nnc(s2)SCc2ccc(cc2)Cl)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 C35H34ClN3O7S2 MW 708.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H34ClN3O7S2/c1-4-43-27-17-22(7-11-25(27)44-14-13-20(2)3)30-29(31(40)23-8-12-26-28(18-23)46-16-15-45-26)32(41)33(42)39(30)34-37-38-35(48-34)47-19-21-5-9-24(36)10-6-21/h5-12,17-18,20,30,40H,4,13-16,19H2,1-3H3/b31-29+
InChIKey
ALNMPYLJCQPDIK-OWWNRXNESA-N
Synonyms
620577-71-1
(4E)1(5((4chlorobenzyl)sulfanyl)134thiadiazol2yl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(3ethoxy4(3methylbutoxy)phenyl)pyrrolidine23dione
(4E)1(5((4CHLOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3ETHOXY4(3METHYLBUTOXY)PHENYL)PYRROLIDINE23DIONE
620577711
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NN=C(S5)SCC6=CC=C(C=C6)Cl)OCCC(C)C
CCOc1cc(ccc1OCCC(C)C)C1N(c2nnc(s2)SCc2ccc(cc2)Cl)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)O
InChI=1SC35H34ClN3O7S2c1443271722(71125(27)44141320(2)3)3029(31(40)238122628(1823)4616154526)32(41)33(42)39(30)34373835(4834)4719215924(36)10621h5121718203040H4131619H213H3b3129+
MFCD07203216
ZINC000150424447
ZINC000150424450

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Available files

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