Vitas-M small molecule compound

ethyl 3,3-bis(2-methylphenyl)-3'-(4-methylphenyl)-3H,3'H-spiro[2-benzothiophene-1,2'-[1,3,4]thiadiazole]-5'-carboxylate

Catalog ID
STK675706
SMILES CCOC(=O)C1=NN(C2(S1)SC(c1c2cccc1)(c1ccccc1C)c1ccccc1C)c1ccc(cc1)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 C33H30N2O2S2 MW 550.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30N2O2S2/c1-5-37-31(36)30-34-35(25-20-18-22(2)19-21-25)33(38-30)29-17-11-10-16-28(29)32(39-33,26-14-8-6-12-23(26)3)27-15-9-7-13-24(27)4/h6-21H,5H2,1-4H3
InChIKey
YKGDSJREABOKRR-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=NN(C2(S1)C3=CC=CC=C3C(S2)(C4=CC=CC=C4C)C5=CC=CC=C5C)C6=CC=C(C=C6)C
ethyl33bis(2methylphenyl)3(4methylphenyl)3H3Hspiro(2benzothiophene12(134)thiadiazole)5carboxylate
ETHYL33BIS(2METHYLPHENYL)4(4METHYLPHENYL)SPIRO(134THIADIAZOLE512BENZOTHIOPHENE)2CARBOXYLATE
InChI=1SC33H30N2O2S2c153731(36)303435(25201822(2)192125)33(3830)291711101628(29)32(39332614861223(26)3)2715971324(27)4h621H5H214H3
MFCD01575681
ZINC000008443948
ZINC000008443949

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Available files

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