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Vitas-M small molecule compound

ethyl 3'-(4-bromophenyl)-4-(2,5-dimethylphenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate

Catalog ID
STK663400
SMILES CCOC(=O)C1=NN(C2(S1)N(N=C(c1c2cccc1)c1cc(C)ccc1C)c1ccccc1)c1ccc(cc1)Br

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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 C32H27BrN4O2S MW 611.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27BrN4O2S/c1-4-39-31(38)30-35-37(25-18-16-23(33)17-19-25)32(40-30)28-13-9-8-12-26(28)29(27-20-21(2)14-15-22(27)3)34-36(32)24-10-6-5-7-11-24/h5-20H,4H2,1-3H3
InChIKey
UTNFQKGNQWYDII-UHFFFAOYSA-N
Synonyms
CCOC(=O)C1=NN(C2(S1)C3=CC=CC=C3C(=NN2C4=CC=CC=C4)C5=C(C=CC(=C5)C)C)C6=CC=C(C=C6)Br
ethyl3(4bromophenyl)4(25dimethylphenyl)2phenyl2H3Hspiro(phthalazine12(134)thiadiazole)5carboxylate
ETHYL4(4BROMOPHENYL)4(25DIMETHYLPHENYL)2PHENYLSPIRO(134THIADIAZOLE51PHTHALAZINE)2CARBOXYLATE
Registry IDs
MFCD01572302
ZINC000098002723
ZINC000098002724

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.

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