Vitas-M small molecule compound
ethyl 3'-(3-chlorophenyl)-4-(2,5-dimethylphenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
Catalog ID
STK663399
SMILES CCOC(=O)C1=NN(C2(S1)N(N=C(c1c2cccc1)c1cc(C)ccc1C)c1ccccc1)c1cccc(c1)Cl
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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 C32H27ClN4O2S MW 567.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27ClN4O2S/c1-4-39-31(38)30-35-37(25-14-10-11-23(33)20-25)32(40-30)28-16-9-8-15-26(28)29(27-19-21(2)17-18-22(27)3)34-36(32)24-12-6-5-7-13-24/h5-20H,4H2,1-3H3InChIKey
LFYPRZPGOBRBKJ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=NN(C2(S1)C3=CC=CC=C3C(=NN2C4=CC=CC=C4)C5=C(C=CC(=C5)C)C)C6=CC(=CC=C6)Cl
ethyl3(3chlorophenyl)4(25dimethylphenyl)2phenyl2H3Hspiro(phthalazine12(134)thiadiazole)5carboxylate
ETHYL4(3CHLOROPHENYL)4(25DIMETHYLPHENYL)2PHENYLSPIRO(134THIADIAZOLE51PHTHALAZINE)2CARBOXYLATE
InChI=1SC32H27ClN4O2Sc143931(38)303537(2514101123(33)2025)32(4030)2816981526(28)29(271921(2)171822(27)3)3436(32)24126571324h520H4H213H3
MFCD01460231
ZINC000097999409
ZINC000097999410
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