Vitas-M small molecule compound

(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-ethylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione

Catalog ID
STK600248
SMILES CCc1ccc(cc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1nnc(s1)C

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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 C24H21N3O5S MW 463.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O5S/c1-3-14-4-6-15(7-5-14)20-19(22(29)23(30)27(20)24-26-25-13(2)33-24)21(28)16-8-9-17-18(12-16)32-11-10-31-17/h4-9,12,20,28H,3,10-11H2,1-2H3/b21-19+
InChIKey
KGSQRODQLJGNCO-XUTLUUPISA-N
Synonyms

(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(4ethylphenyl)1(5methyl134thiadiazol2yl)pyrrolidine23dione
CCC1=CC=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NN=C(S5)C
CCc1ccc(cc1)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1nnc(s1)C
InChI=1SC24H21N3O5Sc13144615(7514)2019(22(29)23(30)27(20)24262513(2)3324)21(28)16891718(1216)3211103117h49122028H31011H212H3b2119+
MFCD07209906
ZINC000102689479
ZINC000102689484

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Available files

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